S-[(3Z)-3-(1,3-oxazol-5-ylmethylidene)piperidin-4-yl] ethanethioate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: S-[(3Z)-3-(1,3-oxazol-5-ylmethylidene)piperidin-4-yl] ethanethioate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: S-[(3Z)-3-(oxazol-5-ylmethylene)-4-piperidyl] ethanethioate; 2,2,2-trifluoroacetic acid CAS Name: ethanethioic acid S-[(3Z)-3-(5-oxazolylmethylidene)-4-piperidinyl] ester; 2,2,2-trifluoroacetic acid IUPAC Name: S-[(3Z)-3-(1,3-oxazol-5-ylmethylidene)piperidin-4-yl] ethanethioate; 2,2,2-trifluoroacetic acid Traditional Name: ethanethioic acid S-[(3Z)-3-(oxazol-5-ylmethylene)-4-piperidyl] ester; 2,2,2-trifluoroacetic acid Formula: C13H15F3N2O4S MolecularWeight: 352.32941

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=CN=CO2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=CN=CO2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H14N2O2S.C2HF3O2/c1-8(14)16-11-2-3-12-5-9(11)4-10-6-13-7-15-10;3-2(4,5)1(6)7/h4,6-7,11-12H,2-3,5H2,1H3;(H,6,7)/b9-4-;