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

Systemtic Name: ethyl 3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C27H21FN2O4S MolecularWeight: 488.530043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN2O4S/c1-2-33-26(32)24-21(19-7-4-6-10-23(19)34-24)16-35-27-29-22-9-5-3-8-20(22)25(31)30(27)15-17-11-13-18(28)14-12-17/h3-14H,2,15-16H2,1H3