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

Systemtic Name: 1-[[4-(5-thiophen-2-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[5-(2-thienyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-thiophen-2-yl-2-benzofuranyl)phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-thiophen-2-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[5-(2-thienyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C5=CC=CS5)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C23H19NO3S/c25-23(26)19-13-24(14-19)12-15-3-5-16(6-4-15)21-11-18-10-17(7-8-20(18)27-21)22-2-1-9-28-22/h1-11,19H,12-14H2,(H,25,26)