(3aS,4R,7aR)-4,6-bis(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4,6-bis(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylene]hexyl]-4,6-bis(hydroxymethyl)-2-(2-thienylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4,6-bis(hydroxymethyl)-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4,6-bis(hydroxymethyl)-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(2-hydroxyphenyl)pent-4-enyl]-4,6-dimethylol-2-(2-thenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)CC4=CC=CS4)CO)O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)CC4=CC=CS4)CO)O

InChI

InChI=1S/C28H33NO6S/c1-2-17(12-18-6-3-4-8-23(18)32)9-10-24(33)25-19(15-30)13-21-26(22(25)16-31)28(35)29(27(21)34)14-20-7-5-11-36-20/h3-8,11-12,21-22,24,26,30-33H,2,9-10,13-16H2,1H3/b17-12+/t21-,22+,24-,26-/m1/s1