tert-butyl 7-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-5-chloranyl-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 7-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-5-chloranyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 5-chloro-7-(1,3-dioxoisoindolin-2-yl)sulfanyl-indoline-1-carboxylate CAS Name: 5-chloro-7-[(1,3-dioxo-2-isoindolyl)thio]-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-7-(1,3-dioxoisoindol-2-yl)sulfanyl-2,3-dihydroindole-1-carboxylate Traditional Name: 5-chloro-7-(phthalimidothio)indoline-1-carboxylic acid tert-butyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=CC(=C21)SN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=CC(=C21)SN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-21(2,3)28-20(27)23-9-8-12-10-13(22)11-16(17(12)23)29-24-18(25)14-6-4-5-7-15(14)19(24)26/h4-7,10-11H,8-9H2,1-3H3