4-(2-sulfanylbutanoylamino)benzoic acid

Systemtic Name: 4-(2-sulfanylbutanoylamino)benzoic acid Openeye Name: 4-(2-sulfanylbutanoylamino)benzoic acid CAS Name: 4-[(2-mercapto-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-(2-sulfanylbutanoylamino)benzoic acid Traditional Name: 4-(2-mercaptobutanoylamino)benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)S

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)S

InChI

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