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

Systemtic Name: ethyl 3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C23H22N2O5S/c1-2-29-22(28)20-17(15-8-4-6-11-19(15)30-20)14-31-23-24-18-10-5-3-9-16(18)21(27)25(23)12-7-13-26/h3-6,8-11,26H,2,7,12-14H2,1H3