1-[[4-(3-fluoranyl-5-phenylsulfanyl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-(3-fluoranyl-5-phenylsulfanyl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(3-fluoro-5-phenylsulfanyl-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[3-fluoro-5-(phenylthio)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(3-fluoro-5-phenylsulfanyl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[3-fluoro-5-(phenylthio)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C25H20FNO3S MolecularWeight: 433.494603

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC=C(C=C2)C3=C(C4=C(O3)C=CC(=C4)SC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC=C(C=C2)C3=C(C4=C(O3)C=CC(=C4)SC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H20FNO3S/c26-23-21-12-20(31-19-4-2-1-3-5-19)10-11-22(21)30-24(23)17-8-6-16(7-9-17)13-27-14-18(15-27)25(28)29/h1-12,18H,13-15H2,(H,28,29)