2-[2-(2-carboxyethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2-[2-(2-carboxyethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2-carboxyethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(2-carboxyethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-carboxyethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2-carboxyethylthio)acetyl]amino]benzoic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H13NO5S/c14-10(7-19-6-5-11(15)16)13-9-4-2-1-3-8(9)12(17)18/h1-4H,5-7H2,(H,13,14)(H,15,16)(H,17,18)