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

Systemtic Name: methyl 6-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate Openeye Name: methyl 6-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate CAS Name: 6-[[2-(4-chloroanilino)-2-oxoethyl]thio]-5-cyano-2-(dimethoxymethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate Traditional Name: 6-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-5-cyano-2-(dimethoxymethyl)nicotinic acid methyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)C(=O)OC)OC

Isomeric SMILES

COC(C1=C(C=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)C(=O)OC)OC

InChI

InChI=1S/C19H18ClN3O5S/c1-26-18(25)14-8-11(9-21)17(23-16(14)19(27-2)28-3)29-10-15(24)22-13-6-4-12(20)5-7-13/h4-8,19H,10H2,1-3H3,(H,22,24)