ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[2-[(3-aminophenyl)thio]butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)OCC)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)OCC)SC3=CC=CC(=C3)N

InChI

InChI=1S/C22H27N3O4S2/c1-4-17(30-15-8-6-7-14(23)11-15)20(27)24-21-19(22(28)29-5-2)16-9-10-25(13(3)26)12-18(16)31-21/h6-8,11,17H,4-5,9-10,12,23H2,1-3H3,(H,24,27)