2-[[2-(ethanoylsulfanylmethyl)-4-phenoxy-butanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-4-phenoxy-butanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-(acetylsulfanylmethyl)-4-phenoxy-butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-4-phenoxybutyl]anilino)acetic acid IUPAC Name: 2-(N-[2-(acetylsulfanylmethyl)-4-phenoxybutanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(acetylthio)methyl]-4-phenoxy-butanoyl]anilino)acetic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCOC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CCOC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-16(23)28-15-17(12-13-27-19-10-6-3-7-11-19)21(26)22(14-20(24)25)18-8-4-2-5-9-18/h2-11,17H,12-15H2,1H3,(H,24,25)