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

Systemtic Name: ethyl 1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O4S/c1-3-23-18(25)15-7-5-6-8-16(15)21-20(23)28-13-17(24)22-11-9-14(10-12-22)19(26)27-4-2/h5-8,14H,3-4,9-13H2,1-2H3