ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H26N2O4S2 MolecularWeight: 530.65774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C29H26N2O4S2/c1-3-35-29(34)25-24(20-11-6-4-7-12-20)18-36-28(25)31-27(33)26(21-13-8-5-9-14-21)37-23-16-10-15-22(17-23)30-19(2)32/h4-18,26H,3H2,1-2H3,(H,30,32)(H,31,33)