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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(4-propan-2-ylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(4-isopropylbenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-(cumoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)C)C(=O)OC

InChI

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