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

Systemtic Name: 3-[[5-[4-(4-methoxyphenyl)butoxy]-6-(3-oxidanidyl-3-oxidanylidene-propyl)pyridin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: 3-[[5-[4-(4-methoxyphenyl)butoxy]-6-(3-oxido-3-oxo-propyl)-2-pyridyl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[5-[4-(4-methoxyphenyl)butoxy]-6-(3-oxido-3-oxopropyl)-2-pyridinyl]methylthio]methyl]benzoate IUPAC Name: 3-[[5-[4-(4-methoxyphenyl)butoxy]-6-(3-oxido-3-oxopropyl)pyridin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[6-(3-keto-3-oxido-propyl)-5-[4-(4-methoxyphenyl)butoxy]-2-pyridyl]methylthio]methyl]benzoate Formula: C28H29NO6S-2 MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C28H31NO6S/c1-34-24-11-8-20(9-12-24)5-2-3-16-35-26-14-10-23(29-25(26)13-15-27(30)31)19-36-18-21-6-4-7-22(17-21)28(32)33/h4,6-12,14,17H,2-3,5,13,15-16,18-19H2,1H3,(H,30,31)(H,32,33)/p-2