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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=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)13-7-5-6-11(3)8-13/h5-8,10H,1-4H3,(H,20,21)