methyl 4-[[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C25H20FN3O4S MolecularWeight: 477.507403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O4S/c1-33-24(32)17-8-6-16(7-9-17)14-27-22(30)15-34-25-28-21-5-3-2-4-20(21)23(31)29(25)19-12-10-18(26)11-13-19/h2-13H,14-15H2,1H3,(H,27,30)