[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H23NO3S2/c1-15(20(24)23-12-11-16-5-2-3-6-19(16)23)26-21(25)17-7-9-18(10-8-17)22-27-13-4-14-28-22/h2-3,5-10,15,22H,4,11-14H2,1H3