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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoate Traditional Name: 4-keto-2-piazthiol-5-yl-4-(3,4,5-trimethoxyphenyl)butyric acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-5-29-21(25)14(12-6-7-15-16(8-12)23-30-22-15)11-17(24)13-9-18(26-2)20(28-4)19(10-13)27-3/h6-10,14H,5,11H2,1-4H3