methyl 2-(2-fluorophenyl)-2-[4-[(E)-octadec-9-enoyl]sulfanylpiperidin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-fluorophenyl)-2-[4-[(E)-octadec-9-enoyl]sulfanylpiperidin-1-yl]ethanoate Openeye Name: methyl 2-(2-fluorophenyl)-2-[4-[(E)-octadec-9-enoyl]sulfanyl-1-piperidyl]acetate CAS Name: 2-(2-fluorophenyl)-2-[4-[[(E)-1-oxooctadec-9-enyl]thio]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-fluorophenyl)-2-[4-[(E)-octadec-9-enoyl]sulfanylpiperidin-1-yl]acetate Traditional Name: 2-(2-fluorophenyl)-2-[4-[[(E)-octadec-9-enoyl]thio]piperidino]acetic acid methyl ester Formula: C32H50FNO3S MolecularWeight: 547.807703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)OC

InChI

InChI=1S/C32H50FNO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30(35)38-27-23-25-34(26-24-27)31(32(36)37-2)28-20-18-19-21-29(28)33/h10-11,18-21,27,31H,3-9,12-17,22-26H2,1-2H3/b11-10+