8-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C20H17N2O6S- MolecularWeight: 413.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-12-2-4-16(5-3-12)26-9-17-21-22-20(28-17)29-10-15-7-13(19(23)24)6-14-8-25-11-27-18(14)15/h2-7H,8-11H2,1H3,(H,23,24)/p-1