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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4-isopropylphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(4-propan-2-ylphenyl)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(3-p-cumenylpropanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-5-26-21(25)19-14(4)17(12-22)20(27-19)23-18(24)11-8-15-6-9-16(10-7-15)13(2)3/h6-7,9-10,13H,5,8,11H2,1-4H3,(H,23,24)