2-phenylsulfanylethyl 12-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]dodecanoate

Systemtic Name: 2-phenylsulfanylethyl 12-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]dodecanoate Openeye Name: 2-phenylsulfanylethyl 12-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]dodecanoate CAS Name: 12-[[(3-hydroxy-4-methoxy-2-pyridinyl)-oxomethyl]amino]dodecanoic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl 12-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]dodecanoate Traditional Name: 12-[(3-hydroxy-4-methoxy-picolinoyl)amino]lauric acid 2-(phenylthio)ethyl ester Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5S/c1-33-23-17-19-28-25(26(23)31)27(32)29-18-13-8-6-4-2-3-5-7-12-16-24(30)34-20-21-35-22-14-10-9-11-15-22/h9-11,14-15,17,19,31H,2-8,12-13,16,18,20-21H2,1H3,(H,29,32)