ethyl 1-(2-chlorophenyl)-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-chlorophenyl)-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(2-chlorophenyl)-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(2-chlorophenyl)-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chlorophenyl)-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(2-chlorophenyl)-6-keto-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxy]pyridazine-3-carboxylic acid ethyl ester Formula: C21H16ClN3O6S2 MolecularWeight: 505.95124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H16ClN3O6S2/c1-3-30-21(27)20-17(11-19(26)25(24-20)16-7-5-4-6-14(16)22)31-33(28,29)13-8-9-15-18(10-13)32-12(2)23-15/h4-11H,3H2,1-2H3