ethyl 1-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O4S/c1-3-24-18(26)15-11-14(21)5-6-16(15)22-20(24)29-12-17(25)23-9-7-13(8-10-23)19(27)28-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3