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

Systemtic Name: 1-[[5-(5-butoxy-1-benzofuran-2-yl)thiophen-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[5-(5-butoxybenzofuran-2-yl)-2-thienyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[5-(5-butoxy-2-benzofuranyl)-2-thiophenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[5-(5-butoxy-1-benzofuran-2-yl)thiophen-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[5-(5-butoxybenzofuran-2-yl)-2-thienyl]methyl]azetidine-3-carboxylic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC=C(S3)CN4CC(C4)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC=C(S3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-2-3-8-25-16-4-6-18-14(9-16)10-19(26-18)20-7-5-17(27-20)13-22-11-15(12-22)21(23)24/h4-7,9-10,15H,2-3,8,11-13H2,1H3,(H,23,24)