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

Systemtic Name: ethyl 4-cyano-5-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(4-cyano-2-fluoro-benzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(4-cyano-2-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(4-cyano-2-fluoro-benzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H12FN3O3S MolecularWeight: 357.358883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O3S/c1-3-24-17(23)14-9(2)12(8-20)16(25-14)21-15(22)11-5-4-10(7-19)6-13(11)18/h4-6H,3H2,1-2H3,(H,21,22)