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

Systemtic Name: ethyl 6-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-(4-chloroanilino)-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-nicotinic acid ethyl ester Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)OC)C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)OC)C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C25H22ClN3O4S/c1-4-33-25(31)22-15(2)28-24(34-14-21(30)29-18-9-7-17(26)8-10-18)20(13-27)23(22)16-5-11-19(32-3)12-6-16/h5-12H,4,14H2,1-3H3,(H,29,30)