ethyl 5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H16FN3O3S/c1-3-25-18(24)15-8-12(9-20)17(21-11(15)2)26-10-16(23)22-14-6-4-13(19)5-7-14/h4-8H,3,10H2,1-2H3,(H,22,23)