7-(3-cyclopentyloxy-4-methoxy-phenyl)-3-phenyl-6-(phenylsulfonylsulfanyl)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one

Systemtic Name: 7-(3-cyclopentyloxy-4-methoxy-phenyl)-3-phenyl-6-(phenylsulfonylsulfanyl)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one Openeye Name: 6-(benzenesulfonylsulfanyl)-7-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazol-5-one CAS Name: 6-(benzenesulfonylthio)-7-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazol-5-one IUPAC Name: 6-(benzenesulfonylsulfanyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one Traditional Name: 6-(besylthio)-7-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazol-5-one Formula: C30H31NO6S2 MolecularWeight: 565.70024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)N3C2OCC3C4=CC=CC=C4)SS(=O)(=O)C5=CC=CC=C5)OC6CCCC6

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)N3C2OCC3C4=CC=CC=C4)SS(=O)(=O)C5=CC=CC=C5)OC6CCCC6

InChI

InChI=1S/C30H31NO6S2/c1-35-25-17-16-21(18-26(25)37-22-12-8-9-13-22)27-28(38-39(33,34)23-14-6-3-7-15-23)29(32)31-24(19-36-30(27)31)20-10-4-2-5-11-20/h2-7,10-11,14-18,22,24,27-28,30H,8-9,12-13,19H2,1H3