13-[[5-methylsulfanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[5-methylsulfanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[[3-(4-hydroxy-4-oxo-butoxy)-5-methylsulfanyl-2-pyridyl]amino]-13-oxo-tridecanoic acid CAS Name: 13-[[3-(4-hydroxy-4-oxobutoxy)-5-(methylthio)-2-pyridinyl]amino]-13-oxotridecanoic acid IUPAC Name: 13-[[3-(4-hydroxy-4-oxobutoxy)-5-methylsulfanylpyridin-2-yl]amino]-13-oxotridecanoic acid Traditional Name: 13-[[3-(4-hydroxy-4-keto-butoxy)-5-(methylthio)-2-pyridyl]amino]-13-keto-tridecanoic acid Formula: C23H36N2O6S MolecularWeight: 468.60674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C(C(=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

CSC1=CN=C(C(=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36N2O6S/c1-32-18-16-19(31-15-11-14-22(29)30)23(24-17-18)25-20(26)12-9-7-5-3-2-4-6-8-10-13-21(27)28/h16-17H,2-15H2,1H3,(H,27,28)(H,29,30)(H,24,25,26)