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

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H25N3O3S/c1-14(18(24)22-15-9-5-3-6-10-15)26-19(25)17-13-21-20(27-2)23(17)16-11-7-4-8-12-16/h4,7-8,11-15H,3,5-6,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1