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

Systemtic Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]benzoic acid CAS Name: 4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]benzoic acid Formula: C25H20O3S2 MolecularWeight: 432.5545

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3S2/c1-29-20-11-12-23(28-16-17-5-3-2-4-6-17)22(15-20)21-13-14-30-24(21)18-7-9-19(10-8-18)25(26)27/h2-15H,16H2,1H3,(H,26,27)