1-tert-butylsulfanylpropan-2-yl 2-chloranyl-4-fluoranyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 1-tert-butylsulfanylpropan-2-yl 2-chloranyl-4-fluoranyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: (2-tert-butylsulfanyl-1-methyl-ethyl) 2-chloro-4-fluoro-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-chloro-4-fluoro-1-cyclohexa-1,3-dienecarboxylic acid 1-(tert-butylthio)propan-2-yl ester IUPAC Name: 1-tert-butylsulfanylpropan-2-yl 2-chloro-4-fluorocyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-chloro-4-fluoro-cyclohexa-1,3-diene-1-carboxylic acid [2-(tert-butylthio)-1-methyl-ethyl] ester Formula: C14H20ClFO2S MolecularWeight: 306.823803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(C)(C)C)OC(=O)C1=C(C=C(CC1)F)Cl

Isomeric SMILES

CC(CSC(C)(C)C)OC(=O)C1=C(C=C(CC1)F)Cl

InChI

InChI=1S/C14H20ClFO2S/c1-9(8-19-14(2,3)4)18-13(17)11-6-5-10(16)7-12(11)15/h7,9H,5-6,8H2,1-4H3