5-(2-hydroxyethylcarbamothioylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-hydroxyethylcarbamothioylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-(2-hydroxyethylcarbamothioylamino)benzoic acid CAS Name: 2-hydroxy-5-[[(2-hydroxyethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-(2-hydroxyethylcarbamothioylamino)benzoic acid Traditional Name: 2-hydroxy-5-(2-hydroxyethylthiocarbamoylamino)benzoic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NCCO)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NCCO)C(=O)O)O

InChI

InChI=1S/C10H12N2O4S/c13-4-3-11-10(17)12-6-1-2-8(14)7(5-6)9(15)16/h1-2,5,13-14H,3-4H2,(H,15,16)(H2,11,12,17)