ethyl 3-(4-cyanophenyl)-2,2-bis(fluoranyl)-3-methylsulfanylcarbothioyloxy-propanoate

Systemtic Name: ethyl 3-(4-cyanophenyl)-2,2-bis(fluoranyl)-3-methylsulfanylcarbothioyloxy-propanoate Openeye Name: ethyl 3-(4-cyanophenyl)-2,2-difluoro-3-methylsulfanylcarbothioyloxy-propanoate CAS Name: 3-(4-cyanophenyl)-2,2-difluoro-3-[(methylthio)-sulfanylidenemethoxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-cyanophenyl)-2,2-difluoro-3-methylsulfanylcarbothioyloxypropanoate Traditional Name: 3-(4-cyanophenyl)-2,2-difluoro-3-(methylthio)carbothioyloxy-propionic acid ethyl ester Formula: C14H13F2NO3S2 MolecularWeight: 345.384726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)C#N)OC(=S)SC)(F)F

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)C#N)OC(=S)SC)(F)F

InChI

InChI=1S/C14H13F2NO3S2/c1-3-19-12(18)14(15,16)11(20-13(21)22-2)10-6-4-9(8-17)5-7-10/h4-7,11H,3H2,1-2H3