3-[2-(carboxymethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(carboxymethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(carboxymethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(carboxymethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(carboxymethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(carboxymethylthio)acetyl]amino]benzoic acid Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S/c13-9(5-18-6-10(14)15)12-8-3-1-2-7(4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)