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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(furan-3-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(3-furylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(3-furanylmethylidene)-4-mercapto-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(furan-3-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(3-furfurylidene)-4-mercapto-piperidino]ethanone Formula: C21H22FNO2S MolecularWeight: 371.468283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=COC=C4)C3)S

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO2S/c22-18-4-2-1-3-17(18)20(21(24)15-5-6-15)23-9-7-19(26)16(12-23)11-14-8-10-25-13-14/h1-4,8,10-11,13,15,19-20,26H,5-7,9,12H2/b16-11+