4-azanyl-2-[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethoxy]carbonyloxy-benzoic acid

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethoxy]carbonyloxy-benzoic acid Openeye Name: 4-amino-2-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethoxy]carbonyloxy-benzoic acid CAS Name: 4-amino-2-[[2-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-2-oxoethoxy]-oxomethoxy]benzoic acid IUPAC Name: 4-amino-2-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-2-oxoethoxy]carbonyloxybenzoic acid Traditional Name: 4-amino-2-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethoxy]carbonyloxy-benzoic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)OC(=O)OCC(=O)NC(CS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)OC(=O)OCC(=O)NC(CS)C(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O8S/c14-6-1-2-7(11(17)18)9(3-6)23-13(21)22-4-10(16)15-8(5-24)12(19)20/h1-3,8,24H,4-5,14H2,(H,15,16)(H,17,18)(H,19,20)