ethyl 4-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4S/c1-3-22-17(25)13-10-12(19)7-8-14(13)21-18(22)27-11-15(23)20-9-5-6-16(24)26-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,23)