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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C20H24N2O3S2/c1-14-6-2-4-8-17(14)22-19(23)10-25-20(24)16-7-3-5-9-18(16)27-12-15-11-26-13-21-15/h3,5,7,9,11,13-14,17H,2,4,6,8,10,12H2,1H3,(H,22,23)