(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H19N3O7S2/c1-29-14-7-8-15-13(10-20(26)31-17(15)11-14)12-30-19(25)6-3-9-22-33(27,28)18-5-2-4-16-21(18)24-32-23-16/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3