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

Systemtic Name: ethyl 5-bromanyl-3-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(3-methyl-4-oxo-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-keto-3-methyl-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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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)N3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C21H17BrN2O4S/c1-3-27-20(26)18-15(14-10-12(22)8-9-17(14)28-18)11-29-21-23-16-7-5-4-6-13(16)19(25)24(21)2/h4-10H,3,11H2,1-2H3