5-ethoxycarbonyl-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-ethoxycarbonyl-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid CAS Name: 5-ethoxycarbonyl-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Traditional Name: 5-carbethoxy-3-(4-fluorophenyl)-4-(4-mesylphenyl)-2-thenoic acid Formula: C21H17FO6S2 MolecularWeight: 448.484483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H17FO6S2/c1-3-28-21(25)19-17(13-6-10-15(11-7-13)30(2,26)27)16(18(29-19)20(23)24)12-4-8-14(22)9-5-12/h4-11H,3H2,1-2H3,(H,23,24)