2-(2-acetamido-3-sulfanyl-propanoyl)oxy-5-azanyl-benzoic acid

Systemtic Name: 2-(2-acetamido-3-sulfanyl-propanoyl)oxy-5-azanyl-benzoic acid Openeye Name: 2-(2-acetamido-3-sulfanyl-propanoyl)oxy-5-amino-benzoic acid CAS Name: 2-(2-acetamido-3-mercapto-1-oxopropoxy)-5-aminobenzoic acid IUPAC Name: 2-(2-acetamido-3-sulfanylpropanoyl)oxy-5-aminobenzoic acid Traditional Name: 2-(2-acetamido-3-mercapto-propanoyl)oxy-5-amino-benzoic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)OC1=C(C=C(C=C1)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CS)C(=O)OC1=C(C=C(C=C1)N)C(=O)O

InChI

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