5-(2-methylsulfanylethylsulfamoyl)-2-propoxy-benzoic acid

Systemtic Name: 5-(2-methylsulfanylethylsulfamoyl)-2-propoxy-benzoic acid Openeye Name: 5-(2-methylsulfanylethylsulfamoyl)-2-propoxy-benzoic acid CAS Name: 5-[2-(methylthio)ethylsulfamoyl]-2-propoxybenzoic acid IUPAC Name: 5-(2-methylsulfanylethylsulfamoyl)-2-propoxybenzoic acid Traditional Name: 5-[2-(methylthio)ethylsulfamoyl]-2-propoxy-benzoic acid Formula: C13H19NO5S2 MolecularWeight: 333.42366

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCSC)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCSC)C(=O)O

InChI

InChI=1S/C13H19NO5S2/c1-3-7-19-12-5-4-10(9-11(12)13(15)16)21(17,18)14-6-8-20-2/h4-5,9,14H,3,6-8H2,1-2H3,(H,15,16)