ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(p-tolyl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[3-(4-methylphenyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[3-(p-tolyl)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=C(C=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=C(C=C2)C)C#N)C

InChI

InChI=1S/C19H20N2O3S/c1-4-24-19(23)17-13(3)15(11-20)18(25-17)21-16(22)10-9-14-7-5-12(2)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,22)