[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C19H23N3O4S/c1-13-6-3-4-9-22(13)17(23)11-25-19(24)16-7-5-8-20-18(16)27-12-15-10-14(2)26-21-15/h5,7-8,10,13H,3-4,6,9,11-12H2,1-2H3/t13-/m0/s1