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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic 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]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

InChI

InChI=1S/C20H24N2O4S/c1-14-7-5-6-10-22(14)19(23)12-25-20(24)17-8-3-4-9-18(17)27-13-16-11-15(2)26-21-16/h3-4,8-9,11,14H,5-7,10,12-13H2,1-2H3/t14-/m0/s1