[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-12(2)13(3)20-16(22)11-24-17(23)15-10-19-18(25-4)21(15)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,22)