ethyl 1-[1-(1,3-benzothiazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(1,3-benzothiazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxo-pyridazin-4-yl]piperidine-4-carboxylate CAS Name: 1-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxo-4-pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-keto-pyridazin-4-yl]isonipecotic acid ethyl ester Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-2-27-18(26)12-7-9-23(10-8-12)14-11-21-24(17(25)16(14)20)19-22-13-5-3-4-6-15(13)28-19/h3-6,11-12H,2,7-10H2,1H3