ethyl (E)-3-(3,7-dimethyloct-6-enylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate

Systemtic Name: ethyl (E)-3-(3,7-dimethyloct-6-enylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate Openeye Name: ethyl (E)-3-allylsulfanyl-3-(3,7-dimethyloct-6-enylsulfanyl)-2-(3-pyridyl)prop-2-enoate CAS Name: (E)-3-(3,7-dimethyloct-6-enylthio)-3-(prop-2-enylthio)-2-(3-pyridinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3,7-dimethyloct-6-enylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-ylprop-2-enoate Traditional Name: (E)-3-(allylthio)-3-(3,7-dimethyloct-6-enylthio)-2-(3-pyridyl)acrylic acid ethyl ester Formula: C23H33NO2S2 MolecularWeight: 419.64362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCCC(C)CCC=C(C)C)SCC=C)C1=CN=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C(\SCCC(C)CCC=C(C)C)/SCC=C)/C1=CN=CC=C1

InChI

InChI=1S/C23H33NO2S2/c1-6-15-27-23(28-16-13-19(5)11-8-10-18(3)4)21(22(25)26-7-2)20-12-9-14-24-17-20/h6,9-10,12,14,17,19H,1,7-8,11,13,15-16H2,2-5H3/b23-21-