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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-3-methyl-phenyl)-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-4-26-20(24)15(13-5-7-16-17(10-13)22-27-21-16)11-18(23)14-6-8-19(25-3)12(2)9-14/h5-10,15H,4,11H2,1-3H3