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

Systemtic Name: ethyl 4-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H24FN3O3S MolecularWeight: 489.561163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O3S/c1-3-17-5-14-23-22(15-17)26(31-25(30-23)18-6-10-20(28)11-7-18)35-16-24(32)29-21-12-8-19(9-13-21)27(33)34-4-2/h5-15H,3-4,16H2,1-2H3,(H,29,32)