ethyl 4-[2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H19BrFN3O3S MolecularWeight: 540.404063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H19BrFN3O3S/c1-2-33-25(32)16-5-10-19(11-6-16)28-22(31)14-34-24-20-13-18(27)9-12-21(20)29-23(30-24)15-3-7-17(26)8-4-15/h3-13H,2,14H2,1H3,(H,28,31)