[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic 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-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-13(19(23)21-12-11-15-5-3-4-6-18(15)21)27-20(24)14(2)28-17-9-7-16(8-10-17)22(25)26/h3-10,13-14H,11-12H2,1-2H3