1-[[2-[4-(2-chlorophenyl)butyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[2-[4-(2-chlorophenyl)butyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[2-[4-(2-chlorophenyl)butyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[2-[4-(2-chlorophenyl)butyl]-1-benzothiophen-5-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[2-[4-(2-chlorophenyl)butyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[2-[4-(2-chlorophenyl)butyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Formula: C23H24ClNO2S MolecularWeight: 413.96016

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC3=C(C=C2)SC(=C3)CCCCC4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC3=C(C=C2)SC(=C3)CCCCC4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C23H24ClNO2S/c24-21-8-4-2-6-17(21)5-1-3-7-20-12-18-11-16(9-10-22(18)28-20)13-25-14-19(15-25)23(26)27/h2,4,6,8-12,19H,1,3,5,7,13-15H2,(H,26,27)