3-[[6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid

Systemtic Name: 3-[[6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid Openeye Name: 3-[[6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylsulfanylmethyl]benzoic acid CAS Name: 3-[[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(4-phenylbutoxy)-2-pyridinyl]methylthio]methyl]benzoic acid IUPAC Name: 3-[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid Traditional Name: 3-[[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylthio]methyl]benzoic acid Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+