methyl 3-[5-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]-1,2,3-triazol-1-yl]propanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 3-[5-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]-1,2,3-triazol-1-yl]propanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-[5-[(Z)-(4-acetylsulfanyl-3-piperidylidene)methyl]triazol-1-yl]propanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-[5-[(Z)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-triazolyl]propanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-[5-[(Z)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-[5-[(Z)-[4-(acetylthio)-3-piperidylidene]methyl]triazol-1-yl]propionic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C16H21F3N4O5S MolecularWeight: 438.42195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=CN=NN2CCC(=O)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=CN=NN2CCC(=O)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H20N4O3S.C2HF3O2/c1-10(19)22-13-3-5-15-8-11(13)7-12-9-16-17-18(12)6-4-14(20)21-2;3-2(4,5)1(6)7/h7,9,13,15H,3-6,8H2,1-2H3;(H,6,7)/b11-7-;