3-[[5-[8-(4-methoxyphenyl)octoxy]-6-(3-oxidanidyl-3-oxidanylidene-propyl)pyridin-2-yl]methylsulfanylmethyl]benzoate

Systemtic Name: 3-[[5-[8-(4-methoxyphenyl)octoxy]-6-(3-oxidanidyl-3-oxidanylidene-propyl)pyridin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: 3-[[5-[8-(4-methoxyphenyl)octoxy]-6-(3-oxido-3-oxo-propyl)-2-pyridyl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[5-[8-(4-methoxyphenyl)octoxy]-6-(3-oxido-3-oxopropyl)-2-pyridinyl]methylthio]methyl]benzoate IUPAC Name: 3-[[5-[8-(4-methoxyphenyl)octoxy]-6-(3-oxido-3-oxopropyl)pyridin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[6-(3-keto-3-oxido-propyl)-5-[8-(4-methoxyphenyl)octoxy]-2-pyridyl]methylthio]methyl]benzoate Formula: C32H37NO6S-2 MolecularWeight: 563.70428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C32H39NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-16,18,21H,2-7,9,17,19-20,22-23H2,1H3,(H,34,35)(H,36,37)/p-2