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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C17H19N3O3S/c1-11(15(21)19-12-8-9-12)23-16(22)14-10-18-17(24-2)20(14)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)