ethyl 3-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C27H19F3N2O4S MolecularWeight: 524.51097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H19F3N2O4S/c1-2-35-25(34)23-20(18-10-4-6-13-22(18)36-23)15-37-26-31-21-12-5-3-11-19(21)24(33)32(26)17-9-7-8-16(14-17)27(28,29)30/h3-14H,2,15H2,1H3