ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,5-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,5-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,5-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,5-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethoxyphenyl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)OC)OC)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)OC)OC)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C20H20N2O5S/c1-4-27-20(24)14(12-5-7-16-17(9-12)22-28-21-16)11-18(23)15-10-13(25-2)6-8-19(15)26-3/h5-10,14H,4,11H2,1-3H3