ethyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H25N3O8S2 MolecularWeight: 523.5792

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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)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)OC

InChI

InChI=1S/C22H25N3O8S2/c1-5-33-19(26)8-9-25-15-7-6-14(35(23,28)29)12-18(15)34-22(25)24-21(27)13-10-16(30-2)20(32-4)17(11-13)31-3/h6-7,10-12H,5,8-9H2,1-4H3,(H2,23,28,29)