ethyl 1-[2-(7-oxidanylidenethieno[2,3-d]pyridazin-6-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(7-oxidanylidenethieno[2,3-d]pyridazin-6-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(7-oxo-6-thieno[2,3-d]pyridazinyl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(7-ketothieno[2,3-d]pyridazin-6-yl)acetyl]nipecotic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C=CS3)C=N2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C=CS3)C=N2

InChI

InChI=1S/C16H19N3O4S/c1-2-23-16(22)12-4-3-6-18(9-12)13(20)10-19-15(21)14-11(8-17-19)5-7-24-14/h5,7-8,12H,2-4,6,9-10H2,1H3