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

Systemtic Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid CAS Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid Traditional Name: 5-carbethoxy-4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-2-thenoic acid Formula: C21H17FO4S2 MolecularWeight: 416.485683

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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)SC)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17FO4S2/c1-3-26-21(25)19-17(12-4-8-14(22)9-5-12)16(18(28-19)20(23)24)13-6-10-15(27-2)11-7-13/h4-11H,3H2,1-2H3,(H,23,24)