[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(2,4-dimethylquinolin-3-yl)ethanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(2,4-dimethylquinolin-3-yl)ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-(2,4-dimethyl-3-quinolyl)acetate CAS Name: 2-(2,4-dimethyl-3-quinolinyl)acetic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dimethylquinolin-3-yl)acetate Traditional Name: 2-(2,4-dimethyl-3-quinolyl)acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H18N4O3S/c1-12-14-6-3-4-7-16(14)22-13(2)15(12)10-20(27)28-11-19(26)23-17-8-5-9-18-21(17)25-29-24-18/h3-9H,10-11H2,1-2H3,(H,23,26)