4-ethyl-2-(2-sulfanylethanoylamino)benzoic acid

Systemtic Name: 4-ethyl-2-(2-sulfanylethanoylamino)benzoic acid Openeye Name: 4-ethyl-2-[(2-sulfanylacetyl)amino]benzoic acid CAS Name: 4-ethyl-2-[(2-mercapto-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-ethyl-2-[(2-sulfanylacetyl)amino]benzoic acid Traditional Name: 4-ethyl-2-[(2-mercaptoacetyl)amino]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)O)NC(=O)CS

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)O)NC(=O)CS

InChI

InChI=1S/C11H13NO3S/c1-2-7-3-4-8(11(14)15)9(5-7)12-10(13)6-16/h3-5,16H,2,6H2,1H3,(H,12,13)(H,14,15)