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

Systemtic Name: 3-[3,4-dimethoxy-5-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]acrylic acid Formula: C19H18N2O6S2 MolecularWeight: 434.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

InChI

InChI=1S/C19H18N2O6S2/c1-11-20-14-6-5-13(10-16(14)28-11)21-29(24,25)17-9-12(4-7-18(22)23)8-15(26-2)19(17)27-3/h4-10,21H,1-3H3,(H,22,23)