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

Systemtic Name: ethyl 3-[[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O5S/c1-3-33-26(31)24-21(19-11-5-7-14-23(19)34-24)16-35-27-28-22-13-6-4-12-20(22)25(30)29(27)17-9-8-10-18(15-17)32-2/h4-15H,3,16H2,1-2H3