ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O4S/c1-3-26-19(24)13(11-4-6-15-16(9-11)22-27-21-15)10-17(23)12-5-7-18(25-2)14(20)8-12/h4-9,13H,3,10H2,1-2H3