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

Systemtic Name: ethyl 5-bromanyl-3-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[4-keto-3-(o-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=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C

InChI

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