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

Systemtic Name: 1-[[4-[[4-(2-ethylphenyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[[4-(2-ethylphenyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[[4-(2-ethylphenyl)phenyl]thio]methyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[[4-(2-ethylphenyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[[[4-(2-ethylphenyl)phenyl]thio]methyl]benzyl]azetidine-3-carboxylic acid Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC=C(C=C2)SCC3=CC=C(C=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1C2=CC=C(C=C2)SCC3=CC=C(C=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C26H27NO2S/c1-2-21-5-3-4-6-25(21)22-11-13-24(14-12-22)30-18-20-9-7-19(8-10-20)15-27-16-23(17-27)26(28)29/h3-14,23H,2,15-18H2,1H3,(H,28,29)