S-(4-oxidanyl-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate

Systemtic Name: S-(4-oxidanyl-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate Openeye Name: S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) ester IUPAC Name: S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) ester Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2CN(CC2C1O)SC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C2CN(CC2C1O)SC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27NO2S/c29-25-16-17-27(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-19-28(18-23(24)25)31-26(30)20-10-4-1-5-11-20/h1-15,23-25,29H,16-19H2