2-phenylsulfanylethyl 11-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]undecanoate

Systemtic Name: 2-phenylsulfanylethyl 11-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]undecanoate Openeye Name: 2-phenylsulfanylethyl 11-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]undecanoate CAS Name: 11-[[(3-hydroxy-4-methoxy-2-pyridinyl)-oxomethyl]amino]undecanoic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl 11-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]undecanoate Traditional Name: 11-[(3-hydroxy-4-methoxy-picolinoyl)amino]undecanoic acid 2-(phenylthio)ethyl ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)C(=O)NCCCCCCCCCCC(=O)OCCSC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C(=NC=C1)C(=O)NCCCCCCCCCCC(=O)OCCSC2=CC=CC=C2)O

InChI

InChI=1S/C26H36N2O5S/c1-32-22-16-18-27-24(25(22)30)26(31)28-17-12-7-5-3-2-4-6-11-15-23(29)33-19-20-34-21-13-9-8-10-14-21/h8-10,13-14,16,18,30H,2-7,11-12,15,17,19-20H2,1H3,(H,28,31)