2-[2-(1-benzothiophen-2-ylmethyl)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-oxidanyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-(1-benzothiophen-2-ylmethyl)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-oxidanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-(benzothiophen-2-ylmethyl)-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenoxy]acetonitrile CAS Name: 2-[2-(1-benzothiophen-2-ylmethyl)-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenoxy]acetonitrile IUPAC Name: 2-[2-(1-benzothiophen-2-ylmethyl)-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]acetonitrile Traditional Name: 2-[2-(benzothiophen-2-ylmethyl)-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]phenoxy]acetonitrile Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=C(C(=C3)C4C(C(C(C(O4)CO)O)O)O)O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=C(C(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OCC#N

InChI

InChI=1S/C23H23NO7S/c24-5-6-30-17-10-16(26)15(23-22(29)21(28)20(27)18(11-25)31-23)9-13(17)8-14-7-12-3-1-2-4-19(12)32-14/h1-4,7,9-10,18,20-23,25-29H,6,8,11H2/t18-,20-,21+,22-,23+/m1/s1