2-methyl-3-[2-(14-propylsulfanyltetradecanoylamino)phenoxy]propanoic acid

Systemtic Name: 2-methyl-3-[2-(14-propylsulfanyltetradecanoylamino)phenoxy]propanoic acid Openeye Name: 2-methyl-3-[2-(14-propylsulfanyltetradecanoylamino)phenoxy]propanoic acid CAS Name: 2-methyl-3-[2-[[1-oxo-14-(propylthio)tetradecyl]amino]phenoxy]propanoic acid IUPAC Name: 2-methyl-3-[2-(14-propylsulfanyltetradecanoylamino)phenoxy]propanoic acid Traditional Name: 2-methyl-3-[2-[14-(propylthio)tetradecanoylamino]phenoxy]propionic acid Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCC(C)C(=O)O

Isomeric SMILES

CCCSCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCC(C)C(=O)O

InChI

InChI=1S/C27H45NO4S/c1-3-20-33-21-16-12-10-8-6-4-5-7-9-11-13-19-26(29)28-24-17-14-15-18-25(24)32-22-23(2)27(30)31/h14-15,17-18,23H,3-13,16,19-22H2,1-2H3,(H,28,29)(H,30,31)