(3S,9bS)-3-methyl-9b-(phenylmethylsulfanyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

Systemtic Name: (3S,9bS)-3-methyl-9b-(phenylmethylsulfanyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one Openeye Name: (3S,9bS)-9b-benzylsulfanyl-3-methyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one CAS Name: (3S,9bS)-3-methyl-9b-(phenylmethylthio)-2,3-dihydrooxazolo[2,3-a]isoindol-5-one IUPAC Name: (3S,9bS)-9b-benzylsulfanyl-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one Traditional Name: (3S,9bS)-9b-(benzylthio)-3-methyl-2,3-dihydrooxazol[2,3-a]isoindol-5-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2(N1C(=O)C3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CO[C@]2(N1C(=O)C3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C18H17NO2S/c1-13-11-21-18(22-12-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17(20)19(13)18/h2-10,13H,11-12H2,1H3/t13-,18-/m0/s1