[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

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