ethanol; ethyl 2-azanyl-3-(4-chlorophenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethanol; ethyl 2-azanyl-3-(4-chlorophenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethanol; ethyl 2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-amino-3-[(4-chlorophenyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester; ethanol Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCO.CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C17H17ClN2O3S.C2H6O/c1-2-23-17(22)20-8-7-12-13(9-20)24-16(19)14(12)15(21)10-3-5-11(18)6-4-10;1-2-3/h3-6H,2,7-9,19H2,1H3;3H,2H2,1H3