11-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-11-oxidanylidene-undecanoic acid

Systemtic Name: 11-[[5-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-11-oxidanylidene-undecanoic acid Openeye Name: 11-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-5-methyl-2-pyridyl]amino]-11-oxo-undecanoic acid CAS Name: 11-[[3-[(4-hydroxy-4-oxobutyl)thio]-5-methyl-2-pyridinyl]amino]-11-oxoundecanoic acid IUPAC Name: 11-[[3-(4-hydroxy-4-oxobutyl)sulfanyl-5-methylpyridin-2-yl]amino]-11-oxoundecanoic acid Traditional Name: 11-[[3-[(4-hydroxy-4-keto-butyl)thio]-5-methyl-2-pyridyl]amino]-11-keto-undecanoic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)NC(=O)CCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(N=C1)NC(=O)CCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C21H32N2O5S/c1-16-14-17(29-13-9-12-20(27)28)21(22-15-16)23-18(24)10-7-5-3-2-4-6-8-11-19(25)26/h14-15H,2-13H2,1H3,(H,25,26)(H,27,28)(H,22,23,24)