methyl 2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H17ClFN3O4S MolecularWeight: 497.925883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H17ClFN3O4S/c1-33-23(32)16-7-3-5-9-20(16)27-21(30)13-34-24-28-19-8-4-2-6-15(19)22(31)29(24)14-10-11-18(26)17(25)12-14/h2-12H,13H2,1H3,(H,27,30)