2-[[2-oxidanylidene-3-(phenylmethyl)-4-sulfanyl-butoxy]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-oxidanylidene-3-(phenylmethyl)-4-sulfanyl-butoxy]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(3-benzyl-2-oxo-4-sulfanyl-butoxy)anilino)acetic acid CAS Name: 2-(N-[3-(mercaptomethyl)-2-oxo-4-phenylbutoxy]anilino)acetic acid IUPAC Name: 2-(N-(3-benzyl-2-oxo-4-sulfanylbutoxy)anilino)acetic acid Traditional Name: 2-(N-(3-benzyl-2-keto-4-mercapto-butoxy)anilino)acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)CON(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)CON(CC(=O)O)C2=CC=CC=C2

InChI

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