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

Systemtic Name: ethyl 1-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H26BrN3O4S/c1-4-25-19(27)16-12-15(22)6-7-17(16)23-21(25)30-13(3)18(26)24-10-8-14(9-11-24)20(28)29-5-2/h6-7,12-14H,4-5,8-11H2,1-3H3