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

Systemtic Name: propan-2-yl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3S/c1-4-7-19-15(21)12-8-11(17)5-6-13(12)18-16(19)23-9-14(20)22-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3