[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 5-methylsulfanyl-2-nitro-benzoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-12(18(22)20-10-9-13-5-3-4-6-16(13)20)26-19(23)15-11-14(27-2)7-8-17(15)21(24)25/h3-8,11-12H,9-10H2,1-2H3