1-[[4-[(2-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(2-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[(2-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[(2-methyl-4-phenylphenyl)thio]methyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[(2-methyl-4-phenylphenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[[(2-methyl-4-phenyl-phenyl)thio]methyl]benzyl]azetidine-3-carboxylic acid Formula: C25H25NO2S MolecularWeight: 403.5365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C25H25NO2S/c1-18-13-22(21-5-3-2-4-6-21)11-12-24(18)29-17-20-9-7-19(8-10-20)14-26-15-23(16-26)25(27)28/h2-13,23H,14-17H2,1H3,(H,27,28)