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

Systemtic Name: ethyl 3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C24H24N2O4S/c1-3-5-14-26-22(27)17-11-6-8-12-19(17)25-24(26)31-15-18-16-10-7-9-13-20(16)30-21(18)23(28)29-4-2/h6-13H,3-5,14-15H2,1-2H3