4,5-dimethoxy-2-(2-methylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(2-methylsulfanylethanoylamino)benzoic acid Openeye Name: 4,5-dimethoxy-2-[(2-methylsulfanylacetyl)amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-(methylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(2-methylsulfanylacetyl)amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-(methylthio)acetyl]amino]benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC)OC

InChI

InChI=1S/C12H15NO5S/c1-17-9-4-7(12(15)16)8(5-10(9)18-2)13-11(14)6-19-3/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)