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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[2-(phenylcarbamoyl)phenyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 6-[[2-[2-[anilino(oxo)methyl]anilino]-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[2-(phenylcarbamoyl)anilino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C25H22N4O4S/c1-3-33-25(32)20-13-17(14-26)24(27-16(20)2)34-15-22(30)29-21-12-8-7-11-19(21)23(31)28-18-9-5-4-6-10-18/h4-13H,3,15H2,1-2H3,(H,28,31)(H,29,30)