3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[[2-(methylthio)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[[2-(methylthio)phenyl]sulfamoyl]phenyl]acrylic acid Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=CC=C2SC)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=CC=C2SC)OC

InChI

InChI=1S/C18H19NO6S2/c1-24-14-10-12(8-9-17(20)21)11-16(18(14)25-2)27(22,23)19-13-6-4-5-7-15(13)26-3/h4-11,19H,1-3H3,(H,20,21)