(E)-3-[4-methoxy-3-(2-methylsulfanylethylsulfamoyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[2-(methylthio)ethylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[2-(methylthio)ethylsulfamoyl]phenyl]acrylic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCSC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCSC

InChI

InChI=1S/C13H17NO5S2/c1-19-11-5-3-10(4-6-13(15)16)9-12(11)21(17,18)14-7-8-20-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)/b6-4+