1,3-benzothiazol-2-ylmethyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O3S/c24-19-11-10-16(22-23(19)12-14-6-2-1-3-7-14)20(25)26-13-18-21-15-8-4-5-9-17(15)27-18/h1-11H,12-13H2