ethyl 5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(2-naphthylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H19N3O3S/c1-3-28-22(27)19-11-17(12-23)21(24-14(19)2)29-13-20(26)25-18-9-8-15-6-4-5-7-16(15)10-18/h4-11H,3,13H2,1-2H3,(H,25,26)