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

Systemtic Name: 1-[[2-(5-butoxy-1-benzofuran-2-yl)-1,3-thiazol-5-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[2-(5-butoxybenzofuran-2-yl)thiazol-5-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[2-(5-butoxy-2-benzofuranyl)-5-thiazolyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[2-(5-butoxy-1-benzofuran-2-yl)-1,3-thiazol-5-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[2-(5-butoxybenzofuran-2-yl)thiazol-5-yl]methyl]azetidine-3-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-2-3-6-25-15-4-5-17-13(7-15)8-18(26-17)19-21-9-16(27-19)12-22-10-14(11-22)20(23)24/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,23,24)