[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C21H26N2O4S/c1-14-8-10-23(11-9-14)20(24)12-26-21(25)17-6-4-5-7-19(17)28-13-18-15(2)22-27-16(18)3/h4-7,14H,8-13H2,1-3H3