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

Systemtic Name: 1-[[3-fluoranyl-4-[5-(phenylmethyl)-1-benzothiophen-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-benzylbenzothiophen-2-yl)-3-fluoro-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(phenylmethyl)-1-benzothiophen-2-yl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-benzyl-1-benzothiophen-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-benzylbenzothiophen-2-yl)-3-fluoro-benzyl]azetidine-3-carboxylic acid Formula: C26H22FNO2S MolecularWeight: 431.521783

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC(=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC(=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H22FNO2S/c27-23-12-19(14-28-15-21(16-28)26(29)30)6-8-22(23)25-13-20-11-18(7-9-24(20)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,29,30)