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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: (6-chloro-7-methyl-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18ClN3O6S2 MolecularWeight: 507.96712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

InChI

InChI=1S/C21H18ClN3O6S2/c1-12-8-17-14(10-15(12)22)13(9-20(27)31-17)11-30-19(26)6-3-7-23-33(28,29)18-5-2-4-16-21(18)25-32-24-16/h2,4-5,8-10,23H,3,6-7,11H2,1H3