3-(4-fluorophenyl)-5-methoxycarbonyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-5-methoxycarbonyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-5-methoxycarbonyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid CAS Name: 3-(4-fluorophenyl)-5-methoxycarbonyl-4-[4-(methylthio)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-5-methoxycarbonyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid Traditional Name: 5-carbomethoxy-3-(4-fluorophenyl)-4-[4-(methylthio)phenyl]-2-thenoic acid Formula: C20H15FO4S2 MolecularWeight: 402.459103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H15FO4S2/c1-25-20(24)18-16(12-5-9-14(26-2)10-6-12)15(17(27-18)19(22)23)11-3-7-13(21)8-4-11/h3-10H,1-2H3,(H,22,23)