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

Systemtic Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)N

InChI

InChI=1S/C27H24N2O3S2/c1-17-11-13-18(14-12-17)22-16-33-26(23(22)27(31)32-2)29-25(30)24(19-7-4-3-5-8-19)34-21-10-6-9-20(28)15-21/h3-16,24H,28H2,1-2H3,(H,29,30)