[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S/c1-14-9-7-8-12-17(14)23-19(25)15(2)27-20(26)18-13-22-21(28-3)24(18)16-10-5-4-6-11-16/h4-6,10-11,13-15,17H,7-9,12H2,1-3H3,(H,23,25)