2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-5-ethyl-2-oxo-4-thioxo-quinazolin-3-yl]acetic acid CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-2-oxo-4-sulfanylidene-3-quinazolinyl]acetic acid IUPAC Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-2-oxo-4-sulfanylidenequinazolin-3-yl]acetic acid Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-5-ethyl-2-keto-4-thioxo-quinazolin-3-yl]acetic acid Formula: C19H16BrFN2O3S MolecularWeight: 451.309343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=O)N(C2=S)CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=O)N(C2=S)CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrFN2O3S/c1-2-11-4-3-5-15-17(11)18(27)23(10-16(24)25)19(26)22(15)9-12-6-7-13(20)8-14(12)21/h3-8H,2,9-10H2,1H3,(H,24,25)