(2S,4aR,6R,7S,8S,8aR)-2-[(2-iodanylphenyl)methyl]-8-(naphthalen-2-ylmethoxy)-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile

Systemtic Name: (2S,4aR,6R,7S,8S,8aR)-2-[(2-iodanylphenyl)methyl]-8-(naphthalen-2-ylmethoxy)-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile Openeye Name: (2S,4aR,6R,7S,8S,8aR)-7-benzyloxy-2-[(2-iodophenyl)methyl]-8-(2-naphthylmethoxy)-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile CAS Name: (2S,4aR,6R,7S,8S,8aR)-2-[(2-iodophenyl)methyl]-8-(2-naphthalenylmethoxy)-7-phenylmethoxy-6-(phenylthio)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile IUPAC Name: (2S,4aR,6R,7S,8S,8aR)-2-[(2-iodophenyl)methyl]-8-(naphthalen-2-ylmethoxy)-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile Traditional Name: (2S,4aR,6R,7S,8S,8aR)-7-benzoxy-2-(2-iodobenzyl)-8-(2-naphthylmethoxy)-6-(phenylthio)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile Formula: C39H34INO5S MolecularWeight: 755.66043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)SC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5)OC(O1)(CC7=CC=CC=C7I)C#N

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)SC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5)O[C@@](O1)(CC7=CC=CC=C7I)C#N

InChI

InChI=1S/C39H34INO5S/c40-33-18-10-9-15-31(33)22-39(26-41)44-25-34-35(46-39)36(42-24-28-19-20-29-13-7-8-14-30(29)21-28)37(43-23-27-11-3-1-4-12-27)38(45-34)47-32-16-5-2-6-17-32/h1-21,34-38H,22-25H2/t34-,35-,36+,37+,38-,39+/m1/s1