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

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-4-16(29-14-7-5-6-13(22)10-14)19(26)23-20-18(21(27)28-3)15-8-9-24(12(2)25)11-17(15)30-20/h5-7,10,16H,4,8-9,11,22H2,1-3H3,(H,23,26)