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

Systemtic Name: ethyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[2-[(3-aminophenyl)thio]propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C(C)SC3=CC=CC(=C3)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C(C)SC3=CC=CC(=C3)N

InChI

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