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

Systemtic Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H27N3O4S2 MolecularWeight: 545.67238

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)N

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)N

InChI

InChI=1S/C29H27N3O4S2/c1-3-36-29(35)23-18(2)24(26(33)31-21-14-8-5-9-15-21)38-28(23)32-27(34)25(19-11-6-4-7-12-19)37-22-16-10-13-20(30)17-22/h4-17,25H,3,30H2,1-2H3,(H,31,33)(H,32,34)