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

Systemtic Name: ethyl 3-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O4S/c1-2-32-26(31)24-21(19-12-7-9-15-23(19)33-24)17-34-27-28-22-14-8-6-13-20(22)25(30)29(27)16-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3