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

Systemtic Name: ethyl (2R)-1-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]pipecolinic 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)N3CCCCC3C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC[C@@H]3C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-12-24-19(26)15-9-5-6-10-16(15)22-21(24)29-14-18(25)23-13-8-7-11-17(23)20(27)28-4-2/h5-6,9-10,17H,3-4,7-8,11-14H2,1-2H3/t17-/m1/s1