methyl 4-(4-methylphenyl)-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(p-tolyl)-2-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-(2-pyridylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H18N2O3S2/c1-13-6-8-14(9-7-13)15-11-27-19(18(15)20(24)25-2)22-16(23)12-26-17-5-3-4-10-21-17/h3-11H,12H2,1-2H3,(H,22,23)