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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-(4-phenylmethoxyphenyl)butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-benzyloxyphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(4-phenylmethoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(4-phenylmethoxyphenyl)butanoate Traditional Name: 4-(4-benzoxyphenyl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C25H22N2O4S/c1-2-30-25(29)21(19-10-13-22-23(14-19)27-32-26-22)15-24(28)18-8-11-20(12-9-18)31-16-17-6-4-3-5-7-17/h3-14,21H,2,15-16H2,1H3