[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O4S/c19-12-6-4-11(5-7-12)15(23)8-9-17(25)26-10-16(24)20-13-2-1-3-14-18(13)22-27-21-14/h1-7H,8-10H2,(H,20,24)