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

Systemtic Name: ethyl 1-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]nipecotic 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)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H24BrN3O4S/c1-3-24-18(26)15-10-14(21)7-8-16(15)22-20(24)29-12-17(25)23-9-5-6-13(11-23)19(27)28-4-2/h7-8,10,13H,3-6,9,11-12H2,1-2H3