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S-[(3S)-3-cyano-2-oxidanylidene-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ethanethioate

S-[(3S)-3-cyano-2-oxidanylidene-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ethanethioate

Systemtic Name:S-[(3S)-3-cyano-2-oxidanylidene-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ethanethioate
Openeye Name:S-[(3S)-3-cyano-2-oxo-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ethanethioate
CAS Name:ethanethioic acid S-[(3S)-3-cyano-2-oxo-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ester
IUPAC Name:S-[(3S)-3-cyano-2-oxo-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ethanethioate
Traditional Name:ethanethioic acid S-[(3S)-3-cyano-2-keto-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propyl] ester
Formula: C14H9F3N2O2S2
MolecularWeight: 358.35867
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC2=C(S1)C=C(C=C2)C(F)(F)F


Isomeric SMILES

CC(=O)SCC(=O)[C@H](C#N)C1=NC2=C(S1)C=C(C=C2)C(F)(F)F


InChI

InChI=1S/C14H9F3N2O2S2/c1-7(20)22-6-11(21)9(5-18)13-19-10-3-2-8(14(15,16)17)4-12(10)23-13/h2-4,9H,6H2,1H3/t9-/m0/s1


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