propan-2-yl 4-cyano-3-methyl-5-[(4-methylphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(4-methylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(p-toluoylamino)thiophene-2-carboxylic acid isopropyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N

InChI

InChI=1S/C18H18N2O3S/c1-10(2)23-18(22)15-12(4)14(9-19)17(24-15)20-16(21)13-7-5-11(3)6-8-13/h5-8,10H,1-4H3,(H,20,21)