2-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-3,6-DICARBOXYLIC ACID 6-TERT BUTYL ESTER 3-ETHYL ESTER

The Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 2-amino-4,7-dihydro-, 6-(1,1-dimethylethyl) 3-ethyl ester, with the CAS registry number 193537-14-3, is also known as 2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-tert-butyl 3-ethyl ester. It belongs to the product categories of Chiral chemicals; Esters; Fused Ring Systems. This chemical's molecular formula is C₁₅H₂₂N₂O₄S and molecular weight is 326.4112. Its systematic name is called 6-tert-butyl 3-ethyl 2-amino-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate.

Physical properties of Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 2-amino-4,7-dihydro-, 6-(1,1-dimethylethyl) 3-ethyl ester: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)ACD/BCF (pH 5.5): 100.64; (5)ACD/BCF (pH 7.4): 100.64; (6)ACD/KOC (pH 5.5): 944.51; (7)ACD/KOC (pH 7.4): 944.51; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 85.83 cm³; (13)Molar Volume: 260.6 cm³; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.252 g/cm³; (16)Flash Point: 251.7 °C; (17)Enthalpy of Vaporization: 75.94 kJ/mol; (18)Boiling Point: 492.5 °C at 760 mmHg; (19)Vapour Pressure: 7.64E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCc1c(sc(c1C(=O)OCC)N)C2
(2)InChI: InChI=1/C15H22N2O4S/c1-5-20-13(18)11-9-6-7-17(8-10(9)22-12(11)16)14(19)21-15(2,3)4/h5-8,16H2,1-4H3
(3)InChIKey: XSXVOVXVHBSSSN-UHFFFAOYAS