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

Systemtic Name: ethyl 3-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C25H26N2O5S/c1-3-30-15-9-14-27-23(28)18-11-5-7-12-20(18)26-25(27)33-16-19-17-10-6-8-13-21(17)32-22(19)24(29)31-4-2/h5-8,10-13H,3-4,9,14-16H2,1-2H3