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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H16ClN3O3S/c20-13-7-5-12(6-8-13)19(9-2-10-19)18(25)26-11-16(24)21-14-3-1-4-15-17(14)23-27-22-15/h1,3-8H,2,9-11H2,(H,21,24)