ethyl 5-bromanyl-3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(quinazolin-4-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-quinazolinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(quinazolin-4-ylthio)methyl]coumarilic acid ethyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H15BrN2O3S/c1-2-25-20(24)18-15(14-9-12(21)7-8-17(14)26-18)10-27-19-13-5-3-4-6-16(13)22-11-23-19/h3-9,11H,2,10H2,1H3