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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(3,4-dimethylphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-4-25-20(24)16(14-7-8-17-18(10-14)22-26-21-17)11-19(23)15-6-5-12(2)13(3)9-15/h5-10,16H,4,11H2,1-3H3