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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-13(5-2)20-16(22)12-24-17(23)15-11-19-18(25-3)21(15)14-9-7-6-8-10-14/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)