ethyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,3-dimethoxyphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-o-veratroylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H23N3O7S2/c1-4-31-18(25)10-11-24-15-9-8-13(33(22,27)28)12-17(15)32-21(24)23-20(26)14-6-5-7-16(29-2)19(14)30-3/h5-9,12H,4,10-11H2,1-3H3,(H2,22,27,28)