2-[(3R,4R,5R,6R,7R)-6-(2-cyanophenoxy)-4,5-bis(oxidanyl)-1,1-bis(oxidanylidene)-7-(phenylmethyl)thiepan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[(3R,4R,5R,6R,7R)-6-(2-cyanophenoxy)-4,5-bis(oxidanyl)-1,1-bis(oxidanylidene)-7-(phenylmethyl)thiepan-3-yl]oxybenzenecarbonitrile Openeye Name: 2-[(3R,4R,5R,6R,7R)-7-benzyl-6-(2-cyanophenoxy)-4,5-dihydroxy-1,1-dioxo-thiepan-3-yl]oxybenzonitrile CAS Name: 2-[[(3R,4R,5R,6R,7R)-6-(2-cyanophenoxy)-4,5-dihydroxy-1,1-dioxo-7-(phenylmethyl)-3-thiepanyl]oxy]benzonitrile IUPAC Name: 2-[(3R,4R,5R,6R,7R)-7-benzyl-6-(2-cyanophenoxy)-4,5-dihydroxy-1,1-dioxothiepan-3-yl]oxybenzonitrile Traditional Name: 2-[(3R,4R,5R,6R,7R)-7-benzyl-6-(2-cyanophenoxy)-4,5-dihydroxy-1,1-diketo-thiepan-3-yl]oxybenzonitrile Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C(S1(=O)=O)CC2=CC=CC=C2)OC3=CC=CC=C3C#N)O)O)OC4=CC=CC=C4C#N

Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@H]([C@H](S1(=O)=O)CC2=CC=CC=C2)OC3=CC=CC=C3C#N)O)O)OC4=CC=CC=C4C#N

InChI

InChI=1S/C27H24N2O6S/c28-15-19-10-4-6-12-21(19)34-23-17-36(32,33)24(14-18-8-2-1-3-9-18)27(26(31)25(23)30)35-22-13-7-5-11-20(22)16-29/h1-13,23-27,30-31H,14,17H2/t23-,24+,25-,26+,27-/m0/s1