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

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H25N3O3S/c1-22(15-9-5-3-6-10-15)18(24)14-26-19(25)17-13-21-20(27-2)23(17)16-11-7-4-8-12-16/h4,7-8,11-13,15H,3,5-6,9-10,14H2,1-2H3