ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H18N2O5S/c1-2-25-20(24)14(12-3-5-15-16(9-12)22-28-21-15)11-17(23)13-4-6-18-19(10-13)27-8-7-26-18/h3-6,9-10,14H,2,7-8,11H2,1H3