2-[4-[2-(phenylmethylsulfanyl)propanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(phenylmethylsulfanyl)propanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-(2-benzylsulfanylpropanoylamino)phenoxy]acetic acid CAS Name: 2-[4-[[1-oxo-2-(phenylmethylthio)propyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-(2-benzylsulfanylpropanoylamino)phenoxy]acetic acid Traditional Name: 2-[4-[2-(benzylthio)propanoylamino]phenoxy]acetic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-13(24-12-14-5-3-2-4-6-14)18(22)19-15-7-9-16(10-8-15)23-11-17(20)21/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)