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

Systemtic Name: 2-[phenyl-[4-[2-(sulfanylmethyl)phenoxy]butanoyl]amino]ethanoic acid Openeye Name: 2-[N-[4-[2-(sulfanylmethyl)phenoxy]butanoyl]anilino]acetic acid CAS Name: 2-(N-[4-[2-(mercaptomethyl)phenoxy]-1-oxobutyl]anilino)acetic acid IUPAC Name: 2-[N-[4-[2-(sulfanylmethyl)phenoxy]butanoyl]anilino]acetic acid Traditional Name: 2-[N-[4-[2-(mercaptomethyl)phenoxy]butanoyl]anilino]acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)CCCOC2=CC=CC=C2CS

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)CCCOC2=CC=CC=C2CS

InChI

InChI=1S/C19H21NO4S/c21-18(20(13-19(22)23)16-8-2-1-3-9-16)11-6-12-24-17-10-5-4-7-15(17)14-25/h1-5,7-10,25H,6,11-14H2,(H,22,23)