4,5-dimethoxy-2-(3-methylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(3-methylsulfanylpropanoylamino)benzoic acid Openeye Name: 4,5-dimethoxy-2-(3-methylsulfanylpropanoylamino)benzoic acid CAS Name: 4,5-dimethoxy-2-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-(3-methylsulfanylpropanoylamino)benzoic acid Traditional Name: 4,5-dimethoxy-2-[3-(methylthio)propanoylamino]benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-18-10-6-8(13(16)17)9(7-11(10)19-2)14-12(15)4-5-20-3/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)