(4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-phenylmethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one

Systemtic Name: (4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-phenylmethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one Openeye Name: (4'R,4'aS,7'aS)-4'-(4-benzyloxy-3,5-dimethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f]isobenzofuran]-5'-one CAS Name: (4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5'-spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f]isobenzofuran]one IUPAC Name: (4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-phenylmethoxyphenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one Traditional Name: (4'R,4'aS,7'aS)-4'-(4-benzoxy-3,5-dimethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothien[2,3-f]isobenzofuran]-5'-one Formula: C28H28O5S3 MolecularWeight: 540.71392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3C4C(COC4=O)C5(C6=C3C=CS6)SCCCS5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)[C@H]3[C@H]4[C@@H](COC4=O)C5(C6=C3C=CS6)SCCCS5

InChI

InChI=1S/C28H28O5S3/c1-30-21-13-18(14-22(31-2)25(21)32-15-17-7-4-3-5-8-17)23-19-9-12-34-26(19)28(35-10-6-11-36-28)20-16-33-27(29)24(20)23/h3-5,7-9,12-14,20,23-24H,6,10-11,15-16H2,1-2H3/t20-,23-,24-/m1/s1