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

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-methoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-methoxyphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-p-anisoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-3-29-18(24)10-11-23-16-9-8-15(31(21,26)27)12-17(16)30-20(23)22-19(25)13-4-6-14(28-2)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H2,21,26,27)