2-[1-[(3E)-3-(1-chloranyl-7-fluoranyl-phenoxathiin-10-ylidene)propyl]piperidin-4-yl]ethanol

Systemtic Name: 2-[1-[(3E)-3-(1-chloranyl-7-fluoranyl-phenoxathiin-10-ylidene)propyl]piperidin-4-yl]ethanol Openeye Name: 2-[1-[(3E)-3-(1-chloro-7-fluoro-phenoxathiin-10-ylidene)propyl]-4-piperidyl]ethanol CAS Name: 2-[1-[(3E)-3-(1-chloro-7-fluoro-10-phenoxathiinylidene)propyl]-4-piperidinyl]ethanol IUPAC Name: 2-[1-[(3E)-3-(1-chloro-7-fluorophenoxathiin-10-ylidene)propyl]piperidin-4-yl]ethanol Traditional Name: 2-[1-[(3E)-3-(1-chloro-7-fluoro-phenoxathiin-10-ylidene)propyl]-4-piperidyl]ethanol Formula: C22H25ClFNO2S MolecularWeight: 421.955803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCO)CCC=S2C3=C(C=C(C=C3)F)OC4=C2C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1CCO)CC/C=S/2\C3=C(C=C(C=C3)F)OC4=C2C(=CC=C4)Cl

InChI

InChI=1S/C22H25ClFNO2S/c23-18-3-1-4-19-22(18)28(21-6-5-17(24)15-20(21)27-19)14-2-10-25-11-7-16(8-12-25)9-13-26/h1,3-6,14-16,26H,2,7-13H2