1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,2-oxazol-5-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,2-oxazol-5-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(isoxazol-5-ylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(5-isoxazolylmethylidene)-4-mercapto-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1,2-oxazol-5-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(isoxazol-5-ylmethylene)-4-mercapto-piperidino]ethanone Formula: C20H21FN2O2S MolecularWeight: 372.456343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=CC=NO4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=CC=NO4)/C3)S

InChI

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