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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)SC)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)SC)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22O3S2/c1-17-14-19(8-10-21(17)26(27)28)25-22(12-13-31-25)23-15-20(30-2)9-11-24(23)29-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,28)