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

Systemtic Name: methyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2=CC3=NSN=C3C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC(C2=CC3=NSN=C3C=C2)C(=O)OC

InChI

InChI=1S/C18H16N2O4S/c1-23-13-6-3-11(4-7-13)17(21)10-14(18(22)24-2)12-5-8-15-16(9-12)20-25-19-15/h3-9,14H,10H2,1-2H3