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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-propan-2-ylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-5-24-19(23)16-12(4)15(10-20)18(25-16)21-17(22)14-8-6-13(7-9-14)11(2)3/h6-9,11H,5H2,1-4H3,(H,21,22)