methyl 5-cyano-2-(dimethoxymethyl)-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-(dimethoxymethyl)-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate CAS Name: 6-[(2-anilino-2-oxoethyl)thio]-5-cyano-2-(dimethoxymethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-(dimethoxymethyl)pyridine-3-carboxylate Traditional Name: 6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-2-(dimethoxymethyl)nicotinic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-25-18(24)14-9-12(10-20)17(22-16(14)19(26-2)27-3)28-11-15(23)21-13-7-5-4-6-8-13/h4-9,19H,11H2,1-3H3,(H,21,23)