3-[[6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate

Systemtic Name: 3-[[6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: 3-[[6-[(E)-3-oxido-3-oxo-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[6-[(E)-3-oxido-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)-2-pyridinyl]methylthio]methyl]benzoate IUPAC Name: 3-[[6-[(E)-3-oxido-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[6-[(E)-3-keto-3-oxido-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylthio]methyl]benzoate Formula: C31H33NO5S-2 MolecularWeight: 531.66242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO5S/c33-30(34)19-17-28-29(37-20-9-4-2-1-3-6-11-24-12-7-5-8-13-24)18-16-27(32-28)23-38-22-25-14-10-15-26(21-25)31(35)36/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22-23H2,(H,33,34)(H,35,36)/p-2/b19-17+