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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-methylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(3-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(m-toluoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-4-22-17(21)14-11(3)13(9-18)16(23-14)19-15(20)12-7-5-6-10(2)8-12/h5-8H,4H2,1-3H3,(H,19,20)