3-[3,4-dimethoxy-5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]acrylic acid Formula: C19H18N2O6S3 MolecularWeight: 466.55102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC)OC

InChI

InChI=1S/C19H18N2O6S3/c1-26-14-8-11(4-7-17(22)23)9-16(18(14)27-2)30(24,25)21-12-5-6-13-15(10-12)29-19(20-13)28-3/h4-10,21H,1-3H3,(H,22,23)