ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H22ClNO3S2 MolecularWeight: 508.05148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClNO3S2/c1-2-32-27(31)24-23(19-6-4-3-5-7-19)17-34-26(24)29-25(30)20-10-8-18(9-11-20)16-33-22-14-12-21(28)13-15-22/h3-15,17H,2,16H2,1H3,(H,29,30)