ethyl 1-[[2-[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carbonyl]nipecotic acid ethyl ester Formula: C27H26FN5O4S MolecularWeight: 535.589843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=COC(=N2)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=COC(=N2)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CC=CC=C5

InChI

InChI=1S/C27H26FN5O4S/c1-2-36-26(35)19-11-8-14-32(15-19)25(34)21-16-37-23(29-21)17-38-27-31-30-24(18-9-4-3-5-10-18)33(27)22-13-7-6-12-20(22)28/h3-7,9-10,12-13,16,19H,2,8,11,14-15,17H2,1H3