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

Systemtic Name: methyl 4-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H22FN3O3S MolecularWeight: 475.534583

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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)OC)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)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3O3S/c1-3-16-4-13-22-21(14-16)25(30-24(29-22)17-5-9-19(27)10-6-17)34-15-23(31)28-20-11-7-18(8-12-20)26(32)33-2/h4-14H,3,15H2,1-2H3,(H,28,31)