[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O3S/c1-4-11(2)20-15(22)10-24-16(23)14-9-19-17(25-3)21(14)13-7-5-12(18)6-8-13/h5-9,11H,4,10H2,1-3H3,(H,20,22)