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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]propanoylamino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C22H25N3O5S2/c1-12(31-16-7-5-6-15(10-16)23-13(2)26)20(28)24-21-19(22(29)30-4)17-8-9-25(14(3)27)11-18(17)32-21/h5-7,10,12H,8-9,11H2,1-4H3,(H,23,26)(H,24,28)