tert-butyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21BrN2O3S/c1-5-8-20-15(22)12-9-11(18)6-7-13(12)19-16(20)24-10-14(21)23-17(2,3)4/h6-7,9H,5,8,10H2,1-4H3