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

Systemtic Name: ethyl 6-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3S/c1-3-25-17(24)12-7-11(8-19)16(21-10(12)2)26-9-14(23)22-13-5-4-6-20-15(13)18/h4-7H,3,9H2,1-2H3,(H,22,23)