2-[[4-ethoxycarbonyl-2-[oxidanidyl(oxidanyl)amino]phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[4-ethoxycarbonyl-2-[oxidanidyl(oxidanyl)amino]phenyl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-ethoxycarbonyl-2-[hydroxy(oxido)amino]phenyl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-ethoxycarbonyl-2-[hydroxy(oxido)amino]phenyl]methylthio]benzoic acid IUPAC Name: 2-[[4-ethoxycarbonyl-2-[hydroxy(oxido)amino]phenyl]methylsulfanyl]benzoic acid Traditional Name: 2-[[4-carbethoxy-2-[hydroxy(oxido)amino]benzyl]thio]benzoic acid Formula: C17H16NO6S- MolecularWeight: 362.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)O)N(O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)O)N(O)[O-]

InChI

InChI=1S/C17H16NO6S/c1-2-24-17(21)11-7-8-12(14(9-11)18(22)23)10-25-15-6-4-3-5-13(15)16(19)20/h3-9,22H,2,10H2,1H3,(H,19,20)/q-1