1-[2-[(E)-3-[3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-(sulfanylmethyl)heptadec-8-enoxy]phenyl]ethanone

Systemtic Name: 1-[2-[(E)-3-[3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-(sulfanylmethyl)heptadec-8-enoxy]phenyl]ethanone Openeye Name: 1-[2-[(E)-3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propyl]-2-(sulfanylmethyl)heptadec-8-enoxy]phenyl]ethanone CAS Name: 1-[2-[(E)-3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propyl]-2-(mercaptomethyl)heptadec-8-enoxy]phenyl]ethanone IUPAC Name: 1-[2-[(E)-3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-(sulfanylmethyl)heptadec-8-enoxy]phenyl]ethanone Traditional Name: 1-[2-[(E)-3-[3-[4-(6-fluoroindoxazen-3-yl)piperidino]propyl]-2-(mercaptomethyl)heptadec-8-enoxy]phenyl]ethanone Formula: C41H59FN2O3S MolecularWeight: 678.982163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCC(CCCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)C(COC4=CC=CC=C4C(=O)C)CS

Isomeric SMILES

CCCCCCCC/C=C/CCCCC(CCCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)C(COC4=CC=CC=C4C(=O)C)CS

InChI

InChI=1S/C41H59FN2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-33(35(31-48)30-46-39-21-16-15-20-37(39)32(2)45)19-17-26-44-27-24-34(25-28-44)41-38-23-22-36(42)29-40(38)47-43-41/h10-11,15-16,20-23,29,33-35,48H,3-9,12-14,17-19,24-28,30-31H2,1-2H3/b11-10+