[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C23H22FN3O3S/c1-14(21(28)26-18-9-6-15-4-3-5-16(15)12-18)30-22(29)20-13-25-23(31-2)27(20)19-10-7-17(24)8-11-19/h6-14H,3-5H2,1-2H3,(H,26,28)