2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]ethanoic acid

Systemtic Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]ethanoic acid Openeye Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-thienyl]acetic acid CAS Name: 2-[2-(hydroxymethyl)-4-[4-(methylthio)phenyl]-5-phenyl-3-thiophenyl]acetic acid IUPAC Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenylthiophen-3-yl]acetic acid Traditional Name: 2-[2-methylol-4-[4-(methylthio)phenyl]-5-phenyl-3-thienyl]acetic acid Formula: C20H18O3S2 MolecularWeight: 370.48512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC(=C2CC(=O)O)CO)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC(=C2CC(=O)O)CO)C3=CC=CC=C3

InChI

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