ethyl 4-(3-fluoranyl-4-methoxy-phenyl)-2-(4-methyl-2,1,3-benzothiadiazol-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-fluoranyl-4-methoxy-phenyl)-2-(4-methyl-2,1,3-benzothiadiazol-6-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-fluoro-4-methoxy-phenyl)-2-(4-methyl-2,1,3-benzothiadiazol-6-yl)-4-oxo-butanoate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-2,1,3-benzothiadiazol-6-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-2,1,3-benzothiadiazol-6-yl)-4-oxobutanoate Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-4-keto-2-(7-methylpiazthiol-5-yl)butyric acid ethyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O4S/c1-4-27-20(25)14(13-7-11(2)19-16(9-13)22-28-23-19)10-17(24)12-5-6-18(26-3)15(21)8-12/h5-9,14H,4,10H2,1-3H3