2-oxidanyl-3-(2-prop-2-enylsulfanylethoxycarbonylamino)benzoic acid

Systemtic Name: 2-oxidanyl-3-(2-prop-2-enylsulfanylethoxycarbonylamino)benzoic acid Openeye Name: 3-(2-allylsulfanylethoxycarbonylamino)-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-3-[[oxo-[2-(prop-2-enylthio)ethoxy]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-(2-prop-2-enylsulfanylethoxycarbonylamino)benzoic acid Traditional Name: 3-[2-(allylthio)ethoxycarbonylamino]-2-hydroxy-benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCCOC(=O)NC1=CC=CC(=C1O)C(=O)O

Isomeric SMILES

C=CCSCCOC(=O)NC1=CC=CC(=C1O)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-2-7-20-8-6-19-13(18)14-10-5-3-4-9(11(10)15)12(16)17/h2-5,15H,1,6-8H2,(H,14,18)(H,16,17)