2-methoxyethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-pyridine-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-2-methyl-pyridine-3-carboxylate Openeye Name: 2-methoxyethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-3-pyridinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-(2-furyl)-2-methyl-nicotinic acid 2-methoxyethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)OCCOC

InChI

InChI=1S/C23H27N3O5S/c1-15-20(23(28)31-12-11-29-2)21(18-9-6-10-30-18)17(13-24)22(25-15)32-14-19(27)26-16-7-4-3-5-8-16/h6,9-10,16H,3-5,7-8,11-12,14H2,1-2H3,(H,26,27)