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

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxidanylidene-4-(4-propan-2-yloxyphenyl)butanoate Openeye Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-(4-isopropoxyphenyl)-4-oxo-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(4-propan-2-yloxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-(4-propan-2-yloxyphenyl)butanoate Traditional Name: 4-(4-isopropoxyphenyl)-4-keto-2-piazthiol-5-yl-butyric acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-26-21(25)17(15-7-10-18-19(11-15)23-28-22-18)12-20(24)14-5-8-16(9-6-14)27-13(2)3/h5-11,13,17H,4,12H2,1-3H3