4-[(2-acetamido-3-sulfanyl-propanoyl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(2-acetamido-3-sulfanyl-propanoyl)amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(2-acetamido-3-sulfanyl-propanoyl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[(2-acetamido-3-mercapto-1-oxopropyl)amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(2-acetamido-3-sulfanylpropanoyl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(2-acetamido-3-mercapto-propanoyl)amino]-2-hydroxy-benzoic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CC(=O)NC(CS)C(=O)NC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C12H14N2O5S/c1-6(15)13-9(5-20)11(17)14-7-2-3-8(12(18)19)10(16)4-7/h2-4,9,16,20H,5H2,1H3,(H,13,15)(H,14,17)(H,18,19)