(2-acetamido-3-sulfanyl-propanoyl) 4-azanyl-2-oxidanyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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