2-acetamido-3-(2-hydroxyphenyl)-3-oxidanylidene-2-(sulfanylmethyl)propanoic acid

Systemtic Name: 2-acetamido-3-(2-hydroxyphenyl)-3-oxidanylidene-2-(sulfanylmethyl)propanoic acid Openeye Name: 2-acetamido-3-(2-hydroxyphenyl)-3-oxo-2-(sulfanylmethyl)propanoic acid CAS Name: 2-acetamido-3-(2-hydroxyphenyl)-2-(mercaptomethyl)-3-oxopropanoic acid IUPAC Name: 2-acetamido-3-(2-hydroxyphenyl)-3-oxo-2-(sulfanylmethyl)propanoic acid Traditional Name: 2-acetamido-3-(2-hydroxyphenyl)-3-keto-2-(mercaptomethyl)propionic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)(C(=O)C1=CC=CC=C1O)C(=O)O

Isomeric SMILES

CC(=O)NC(CS)(C(=O)C1=CC=CC=C1O)C(=O)O

InChI

InChI=1S/C12H13NO5S/c1-7(14)13-12(6-19,11(17)18)10(16)8-4-2-3-5-9(8)15/h2-5,15,19H,6H2,1H3,(H,13,14)(H,17,18)