[2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-butyl)amino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[(1-carbomethoxy-2-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CN=C(N1C2=CC=CC=C2)SC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CN=C(N1C2=CC=CC=C2)SC

InChI

InChI=1S/C20H25N3O5S/c1-5-13(2)17(19(26)27-3)22-16(24)12-28-18(25)15-11-21-20(29-4)23(15)14-9-7-6-8-10-14/h6-11,13,17H,5,12H2,1-4H3,(H,22,24)