ethyl 1-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-11-24-19(26)16-7-5-6-8-17(16)22-21(24)29-14-18(25)23-12-9-15(10-13-23)20(27)28-4-2/h5-8,15H,3-4,9-14H2,1-2H3