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

Systemtic Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S2/c1-14(33-17-8-6-7-16(11-17)26-15(2)29)21(30)27-22-19(12-25)18-9-10-28(13-20(18)34-22)23(31)32-24(3,4)5/h6-8,11,14H,9-10,13H2,1-5H3,(H,26,29)(H,27,30)