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

Systemtic Name: ethyl 6-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H15ClFN3O3S MolecularWeight: 407.846403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN3O3S/c1-3-26-18(25)13-6-11(8-21)17(22-10(13)2)27-9-16(24)23-15-5-4-12(19)7-14(15)20/h4-7H,3,9H2,1-2H3,(H,23,24)