1,3-benzothiazol-2-ylmethyl 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-methyl-6-oxo-3-pyridazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-1-methyl-pyridazine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C14H11N3O3S MolecularWeight: 301.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11N3O3S/c1-17-13(18)7-6-10(16-17)14(19)20-8-12-15-9-4-2-3-5-11(9)21-12/h2-7H,8H2,1H3