2-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(5-bromo-2-carbethoxy-benzofuran-3-yl)methylthio]quinazolin-4-olate Formula: C20H14BrN2O4S- MolecularWeight: 458.30516

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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(=N3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H15BrN2O4S/c1-2-26-19(25)17-14(13-9-11(21)7-8-16(13)27-17)10-28-20-22-15-6-4-3-5-12(15)18(24)23-20/h3-9H,2,10H2,1H3,(H,22,23,24)/p-1