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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-[4-(methylthio)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S2/c1-3-24-19(23)15(13-6-9-16-17(10-13)21-26-20-16)11-18(22)12-4-7-14(25-2)8-5-12/h4-10,15H,3,11H2,1-2H3