3-[(4-sulfanylpyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-sulfanylpyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(4-mercapto-2-pyrrolidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-mercaptoprolyl)amino]benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)O)S

Isomeric SMILES

C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)O)S

InChI

InChI=1S/C12H14N2O3S/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17)