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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-yl)-4-oxo-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzothiadiazol-5-yl)-4-oxobutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-piazthiol-5-yl-butyric acid ethyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC2=NSN=C2C=C1)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC2=NSN=C2C=C1)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5S/c1-2-24-19(23)13(11-4-6-17-18(8-11)26-10-25-17)9-16(22)12-3-5-14-15(7-12)21-27-20-14/h3-8,13H,2,9-10H2,1H3