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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C22H21N3O3S/c1-15(20(26)24-13-12-16-8-6-7-11-18(16)24)28-21(27)19-14-23-22(29-2)25(19)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3