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

Systemtic Name: ethyl 5-bromanyl-3-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C27H21BrN2O4S MolecularWeight: 549.43564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C

InChI

InChI=1S/C27H21BrN2O4S/c1-3-33-26(32)24-21(20-14-17(28)10-13-23(20)34-24)15-35-27-29-22-7-5-4-6-19(22)25(31)30(27)18-11-8-16(2)9-12-18/h4-14H,3,15H2,1-2H3