[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-14-8-15(2)10-23(9-14)20(24)11-26-21(25)18-6-4-5-7-19(18)28-13-17-12-27-16(3)22-17/h4-7,12,14-15H,8-11,13H2,1-3H3