3-(2-sulfanylethanoylamino)benzoate

Systemtic Name: 3-(2-sulfanylethanoylamino)benzoate Openeye Name: 3-[(2-sulfanylacetyl)amino]benzoate CAS Name: 3-[(2-mercapto-1-oxoethyl)amino]benzoate IUPAC Name: 3-[(2-sulfanylacetyl)amino]benzoate Traditional Name: 3-[(2-mercaptoacetyl)amino]benzoate Formula: C9H8NO3S- MolecularWeight: 210.22972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)[O-]

InChI

InChI=1S/C9H9NO3S/c11-8(5-14)10-7-3-1-2-6(4-7)9(12)13/h1-4,14H,5H2,(H,10,11)(H,12,13)/p-1