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

Systemtic Name: S-(4-oxidanyl-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) 4-pyrrolidin-1-ylbenzenecarbothioate Openeye Name: S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) 4-pyrrolidin-1-ylbenzenecarbothioate CAS Name: 4-(1-pyrrolidinyl)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) 4-pyrrolidin-1-ylbenzenecarbothioate Traditional Name: 4-pyrrolidinothiobenzoic acid S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) ester Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)SN3CC4C(CCC(C4C3)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)SN3CC4C(CCC(C4C3)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C31H34N2O2S/c34-29-17-18-31(24-9-3-1-4-10-24,25-11-5-2-6-12-25)28-22-33(21-27(28)29)36-30(35)23-13-15-26(16-14-23)32-19-7-8-20-32/h1-6,9-16,27-29,34H,7-8,17-22H2