2-[3-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]phenyl]acetic acid CAS Name: 2-[3-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]phenyl]acetic acid IUPAC Name: 2-[3-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]acetic acid Traditional Name: 2-[3-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]phenyl]acetic acid Formula: C26H22O3S2 MolecularWeight: 446.58108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC(=CC=C4)CC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC(=CC=C4)CC(=O)O

InChI

InChI=1S/C26H22O3S2/c1-30-21-10-11-24(29-17-18-6-3-2-4-7-18)23(16-21)22-12-13-31-26(22)20-9-5-8-19(14-20)15-25(27)28/h2-14,16H,15,17H2,1H3,(H,27,28)