ethyl 1-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-2-26-20(25)16-9-6-12-23(13-16)19(24)14-27-18-11-10-17(21-22-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3