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

Systemtic Name: ethyl 5-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chloro-4-methyl-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-4-methylbenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chloro-4-methyl-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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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)Cl)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c1-4-23-17(22)14-10(3)12(8-19)16(24-14)20-15(21)11-6-5-9(2)13(18)7-11/h5-7H,4H2,1-3H3,(H,20,21)