2-(4-sulfanylbutylcarbamoyl)benzoic acid

Systemtic Name: 2-(4-sulfanylbutylcarbamoyl)benzoic acid Openeye Name: 2-(4-sulfanylbutylcarbamoyl)benzoic acid CAS Name: 2-[(4-mercaptobutylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(4-sulfanylbutylcarbamoyl)benzoic acid Traditional Name: 2-(4-mercaptobutylcarbamoyl)benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCS)C(=O)O

InChI

InChI=1S/C12H15NO3S/c14-11(13-7-3-4-8-17)9-5-1-2-6-10(9)12(15)16/h1-2,5-6,17H,3-4,7-8H2,(H,13,14)(H,15,16)