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

Systemtic Name: 2-chloranyl-5-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoic acid Openeye Name: 5-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]benzoic acid IUPAC Name: 2-chloro-5-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]benzoic acid Traditional Name: 5-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]-2-chloro-benzoic acid Formula: C25H19ClO3S2 MolecularWeight: 466.99956

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClO3S2/c1-30-18-8-10-23(29-15-16-5-3-2-4-6-16)20(14-18)19-11-12-31-24(19)17-7-9-22(26)21(13-17)25(27)28/h2-14H,15H2,1H3,(H,27,28)