2-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(2-carbethoxy-4-fluoro-benzothiophen-3-yl)methylthio]quinazolin-4-olate Formula: C20H14FN2O3S2- MolecularWeight: 413.465163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H15FN2O3S2/c1-2-26-19(25)17-12(16-13(21)7-5-9-15(16)28-17)10-27-20-22-14-8-4-3-6-11(14)18(24)23-20/h3-9H,2,10H2,1H3,(H,22,23,24)/p-1