ethyl 3-[2-(3,4-dimethoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(3,4-dimethoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-sulfamoyl-2-veratroylimino-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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