2-[(2-methyl-3-sulfanyl-propanoyl)-(4-phenylmethoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-(4-phenylmethoxyphenyl)amino]ethanoic acid Openeye Name: 2-(4-benzyloxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-4-phenylmethoxyanilino)acetic acid IUPAC Name: 2-(N-(2-methyl-3-sulfanylpropanoyl)-4-phenylmethoxyanilino)acetic acid Traditional Name: 2-(4-benzoxy-N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-14(13-25)19(23)20(11-18(21)22)16-7-9-17(10-8-16)24-12-15-5-3-2-4-6-15/h2-10,14,25H,11-13H2,1H3,(H,21,22)