2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-thioxo-quinazolin-3-yl]acetic acid CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-sulfanylidene-3-quinazolinyl]acetic acid IUPAC Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-sulfanylidenequinazolin-3-yl]acetic acid Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-6-chloro-5-ethyl-2-keto-4-thioxo-quinazolin-3-yl]acetic acid Formula: C19H15BrClFN2O3S MolecularWeight: 485.754403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O)Cl

Isomeric SMILES

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O)Cl

InChI

InChI=1S/C19H15BrClFN2O3S/c1-2-12-13(21)5-6-15-17(12)18(28)24(9-16(25)26)19(27)23(15)8-10-3-4-11(20)7-14(10)22/h3-7H,2,8-9H2,1H3,(H,25,26)