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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO2S/c22-18-6-2-1-5-17(18)20(21(24)14-7-8-14)23-10-9-19(26)15(13-23)12-16-4-3-11-25-16/h1-6,11-12,14,19-20,26H,7-10,13H2/b15-12+