2-[4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]phenyl]acetic acid CAS Name: 2-[4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]acetic acid Traditional Name: 2-[4-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]phenyl]acetic acid Formula: C26H22O3S2 MolecularWeight: 446.58108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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