3-[4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)phenyl]sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)phenyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)phenyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)phenyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)phenyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-carbethoxy-2-methyl-5-(trifluoromethyl)phenyl]thio]-2,2-dimethyl-propionic acid Formula: C16H19F3O4S MolecularWeight: 364.37987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C(F)(F)F)SCC(C)(C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C(F)(F)F)SCC(C)(C)C(=O)O)C

InChI

InChI=1S/C16H19F3O4S/c1-5-23-13(20)10-6-9(2)12(7-11(10)16(17,18)19)24-8-15(3,4)14(21)22/h6-7H,5,8H2,1-4H3,(H,21,22)