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

Systemtic Name: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-2-phenyl-nicotinic acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4S/c1-4-31-25(29)22-16(2)20(14-26)24(27-23(22)18-8-6-5-7-9-18)32-15-21(28)17-10-12-19(30-3)13-11-17/h5-13H,4,15H2,1-3H3