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

Systemtic Name: methyl 3-[(3E,5E)-1-(2-cyanothiophen-3-yl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(2E,4E)-1-[(2-cyano-3-thienyl)-hydroxy-methyl]tetradeca-2,4-dienyl]sulfanylpropanoate CAS Name: 3-[[(3E,5E)-1-(2-cyano-3-thiophenyl)-1-hydroxypentadeca-3,5-dien-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3E,5E)-1-(2-cyanothiophen-3-yl)-1-hydroxypentadeca-3,5-dien-2-yl]sulfanylpropanoate Traditional Name: 3-[[(2E,4E)-1-[(2-cyano-3-thienyl)-hydroxy-methyl]tetradeca-2,4-dienyl]thio]propionic acid methyl ester Formula: C24H35NO3S2 MolecularWeight: 449.6696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=C(SC=C1)C#N)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=C(SC=C1)C#N)O)SCCC(=O)OC

InChI

InChI=1S/C24H35NO3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(29-18-16-23(26)28-2)24(27)20-15-17-30-22(20)19-25/h11-15,17,21,24,27H,3-10,16,18H2,1-2H3/b12-11+,14-13+