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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxyphenyl)-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(23)15(13-6-9-16-17(10-13)21-26-20-16)11-18(22)12-4-7-14(24-2)8-5-12/h4-10,15H,3,11H2,1-2H3