2-[4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[4-(4-methylsulfanylphenyl)-5-phenyl-3-thienyl]propanoic acid CAS Name: 3-hydroxy-2-[4-[4-(methylthio)phenyl]-5-phenyl-3-thiophenyl]propanoic acid IUPAC Name: 3-hydroxy-2-[4-(4-methylsulfanylphenyl)-5-phenylthiophen-3-yl]propanoic acid Traditional Name: 3-hydroxy-2-[4-[4-(methylthio)phenyl]-5-phenyl-3-thienyl]propionic acid Formula: C20H18O3S2 MolecularWeight: 370.48512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC=C2C(CO)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC=C2C(CO)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18O3S2/c1-24-15-9-7-13(8-10-15)18-17(16(11-21)20(22)23)12-25-19(18)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3,(H,22,23)