ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O4S2/c1-4-21(33-19-13-9-12-18(14-19)26-16(3)28)23(29)27-24-22(25(30)31-5-2)20(15-32-24)17-10-7-6-8-11-17/h6-15,21H,4-5H2,1-3H3,(H,26,28)(H,27,29)