3-[(3E,5E)-1-(5-cyanothiophen-3-yl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(3E,5E)-1-(5-cyanothiophen-3-yl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(2E,4E)-1-[(5-cyano-3-thienyl)-hydroxy-methyl]tetradeca-2,4-dienyl]sulfanylpropanoic acid CAS Name: 3-[[(3E,5E)-1-(5-cyano-3-thiophenyl)-1-hydroxypentadeca-3,5-dien-2-yl]thio]propanoic acid IUPAC Name: 3-[(3E,5E)-1-(5-cyanothiophen-3-yl)-1-hydroxypentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(2E,4E)-1-[(5-cyano-3-thienyl)-hydroxy-methyl]tetradeca-2,4-dienyl]thio]propionic acid Formula: C23H33NO3S2 MolecularWeight: 435.64302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CSC(=C1)C#N)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CSC(=C1)C#N)O)SCCC(=O)O

InChI

InChI=1S/C23H33NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(28-15-14-22(25)26)23(27)19-16-20(17-24)29-18-19/h10-13,16,18,21,23,27H,2-9,14-15H2,1H3,(H,25,26)/b11-10+,13-12+