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

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-(4-phenoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-(2-methyl-3-sulfanyl-propanoyl)-4-phenoxy-anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-4-phenoxyanilino)acetic acid IUPAC Name: 2-(N-(2-methyl-3-sulfanylpropanoyl)-4-phenoxyanilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-4-phenoxy-anilino)acetic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

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