ethyl 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-thioxo-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-dithiole-4-carboxylate CAS Name: 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-dithiole-4-carboxylate Traditional Name: 2-thioxo-5-[[3-(trifluoromethyl)benzyl]thio]-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C14H11F3O2S4 MolecularWeight: 396.49115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=S)S1)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=S)S1)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H11F3O2S4/c1-2-19-11(18)10-12(23-13(20)22-10)21-7-8-4-3-5-9(6-8)14(15,16)17/h3-6H,2,7H2,1H3