1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,3-oxazol-2-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,3-oxazol-2-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(oxazol-2-ylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(2-oxazolylmethylidene)-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,3-oxazol-2-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(oxazol-2-ylmethylene)piperidino]ethanone Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=NC=CO4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=NC=CO4)/C3)S

InChI

InChI=1S/C20H21FN2O2S/c21-16-4-2-1-3-15(16)19(20(24)13-5-6-13)23-9-7-17(26)14(12-23)11-18-22-8-10-25-18/h1-4,8,10-11,13,17,19,26H,5-7,9,12H2/b14-11+