(4R,4aS,7aR,8S)-4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-8-oxidanyl-4a,7,7a,8-tetrahydro-4H-thieno[2,3-f][2]benzofuran-5-one

Systemtic Name: (4R,4aS,7aR,8S)-4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-8-oxidanyl-4a,7,7a,8-tetrahydro-4H-thieno[2,3-f][2]benzofuran-5-one Openeye Name: (4R,4aS,7aR,8S)-4-(4-benzyloxy-3,5-dimethoxy-phenyl)-8-hydroxy-4a,7,7a,8-tetrahydro-4H-thieno[2,3-f]isobenzofuran-5-one CAS Name: (4R,4aS,7aR,8S)-4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-8-hydroxy-4a,7,7a,8-tetrahydro-4H-thieno[2,3-f]isobenzofuran-5-one IUPAC Name: (4R,4aS,7aR,8S)-4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-8-hydroxy-4a,7,7a,8-tetrahydro-4H-thieno[2,3-f][2]benzofuran-5-one Traditional Name: (4R,4aS,7aR,8S)-4-(4-benzoxy-3,5-dimethoxy-phenyl)-8-hydroxy-4a,7,7a,8-tetrahydro-4H-thien[2,3-f]isobenzofuran-5-one Formula: C25H24O6S MolecularWeight: 452.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3C4C(COC4=O)C(C5=C3C=CS5)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)[C@H]3[C@H]4[C@H](COC4=O)[C@@H](C5=C3C=CS5)O

InChI

InChI=1S/C25H24O6S/c1-28-18-10-15(11-19(29-2)23(18)30-12-14-6-4-3-5-7-14)20-16-8-9-32-24(16)22(26)17-13-31-25(27)21(17)20/h3-11,17,20-22,26H,12-13H2,1-2H3/t17-,20+,21+,22-/m0/s1