3-methoxy-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)thiophene-2-carboxylic acid

Systemtic Name: 3-methoxy-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)thiophene-2-carboxylic acid Openeye Name: 4-benzylsulfanyl-3-methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid CAS Name: 3-methoxy-4-(phenylmethylthio)-5-(trifluoromethyl)-2-thiophenecarboxylic acid IUPAC Name: 4-benzylsulfanyl-3-methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid Traditional Name: 4-(benzylthio)-3-methoxy-5-(trifluoromethyl)-2-thenoic acid Formula: C14H11F3O3S2 MolecularWeight: 348.36055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC(=C1SCC2=CC=CC=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=C(SC(=C1SCC2=CC=CC=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H11F3O3S2/c1-20-9-10(21-7-8-5-3-2-4-6-8)12(14(15,16)17)22-11(9)13(18)19/h2-6H,7H2,1H3,(H,18,19)