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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

InChI

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