3-[2-oxidanylidene-2-[(1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]benzoic acid

Systemtic Name: 3-[2-oxidanylidene-2-[(1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]benzoic acid Openeye Name: 3-[2-[(1-formyl-2-sulfanyl-ethyl)amino]-2-oxo-ethyl]benzoic acid CAS Name: 3-[2-[(1-mercapto-3-oxopropan-2-yl)amino]-2-oxoethyl]benzoic acid IUPAC Name: 3-[2-oxo-2-[(1-oxo-3-sulfanylpropan-2-yl)amino]ethyl]benzoic acid Traditional Name: 3-[2-[(1-formyl-2-mercapto-ethyl)amino]-2-keto-ethyl]benzoic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c14-6-10(7-18)13-11(15)5-8-2-1-3-9(4-8)12(16)17/h1-4,6,10,18H,5,7H2,(H,13,15)(H,16,17)