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

Systemtic Name: 3-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)O

InChI

InChI=1S/C20H20N2O7S2/c1-4-29-13-6-7-14-16(11-13)30-20(21-14)22-31(25,26)17-10-12(5-8-18(23)24)9-15(27-2)19(17)28-3/h5-11H,4H2,1-3H3,(H,21,22)(H,23,24)