ethyl (Z)-3-(3-phenoxypropylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-(3-phenoxypropylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate Openeye Name: ethyl (Z)-3-allylsulfanyl-3-(3-phenoxypropylsulfanyl)-2-(3-pyridyl)prop-2-enoate CAS Name: (Z)-3-(3-phenoxypropylthio)-3-(prop-2-enylthio)-2-(3-pyridinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(3-phenoxypropylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-ylprop-2-enoate Traditional Name: (Z)-3-(allylthio)-3-(3-phenoxypropylthio)-2-(3-pyridyl)acrylic acid ethyl ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCCCOC1=CC=CC=C1)SCC=C)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/SCCCOC1=CC=CC=C1)\SCC=C)/C2=CN=CC=C2

InChI

InChI=1S/C22H25NO3S2/c1-3-15-27-22(28-16-9-14-26-19-11-6-5-7-12-19)20(21(24)25-4-2)18-10-8-13-23-17-18/h3,5-8,10-13,17H,1,4,9,14-16H2,2H3/b22-20+