ethyl 3-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C28H24N2O4S MolecularWeight: 484.56616

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4S/c1-4-33-27(32)25-22(20-9-6-8-12-24(20)34-25)16-35-28-29-23-11-7-5-10-21(23)26(31)30(28)19-14-17(2)13-18(3)15-19/h5-15H,4,16H2,1-3H3