ethyl 5-cyano-2-methyl-6-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCCC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCC[C@H](C2)C)C

InChI

InChI=1S/C18H23N3O3S/c1-4-24-18(23)15-8-14(9-19)17(20-13(15)3)25-11-16(22)21-7-5-6-12(2)10-21/h8,12H,4-7,10-11H2,1-3H3/t12-/m1/s1