ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H29N3O5S2 MolecularWeight: 587.70906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C31H29N3O5S2/c1-4-39-31(38)25-19(2)26(28(36)33-22-14-9-6-10-15-22)41-30(25)34-29(37)27(21-12-7-5-8-13-21)40-24-17-11-16-23(18-24)32-20(3)35/h5-18,27H,4H2,1-3H3,(H,32,35)(H,33,36)(H,34,37)