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

Systemtic Name: methyl 3-[2-(2-oxidanylidenechromen-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H17N3O7S2 MolecularWeight: 487.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S2/c1-30-18(25)8-9-24-15-7-6-13(33(22,28)29)11-17(15)32-21(24)23-19(26)14-10-12-4-2-3-5-16(12)31-20(14)27/h2-7,10-11H,8-9H2,1H3,(H2,22,28,29)