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

Systemtic Name: ethyl 3-[2-(2-oxidanylidenechromen-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-oxochromene-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-oxochromene-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-ketochromene-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H19N3O7S2 MolecularWeight: 501.53216

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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=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H19N3O7S2/c1-2-31-19(26)9-10-25-16-8-7-14(34(23,29)30)12-18(16)33-22(25)24-20(27)15-11-13-5-3-4-6-17(13)32-21(15)28/h3-8,11-12H,2,9-10H2,1H3,(H2,23,29,30)