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

Systemtic Name: ethyl 3-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O4S/c1-2-31-25(30)23-20(18-12-7-9-15-22(18)32-23)16-33-26-27-21-14-8-6-13-19(21)24(29)28(26)17-10-4-3-5-11-17/h3-15H,2,16H2,1H3