ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylsulfanyl]ethanoate Openeye Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylsulfanyl]acetate CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylsulfanyl]acetate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylthio]acetic acid ethyl ester Formula: C13H11F6NO2S2 MolecularWeight: 391.352359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H11F6NO2S2/c1-2-22-10(21)6-24-11(23)20-9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h3-5H,2,6H2,1H3,(H,20,23)