[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C21H26N2O3S2/c1-15-7-9-17(10-8-15)23(2)20(24)11-26-21(25)18-5-3-4-6-19(18)28-13-16-12-27-14-22-16/h3-6,12,14-15,17H,7-11,13H2,1-2H3