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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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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)OC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C23H27N3O5S2/c1-5-18(32-16-8-6-7-15(11-16)24-13(2)27)21(29)25-22-20(23(30)31-4)17-9-10-26(14(3)28)12-19(17)33-22/h6-8,11,18H,5,9-10,12H2,1-4H3,(H,24,27)(H,25,29)