ethyl (Z)-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-yl-prop-2-enoate Openeye Name: ethyl (Z)-3-allylsulfanyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-(3-pyridyl)prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-ylmethylthio)-3-(prop-2-enylthio)-2-(3-pyridinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enylsulfanyl-2-pyridin-3-ylprop-2-enoate Traditional Name: (Z)-3-(allylthio)-3-(piperonylthio)-2-(3-pyridyl)acrylic acid ethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC=C)SCC1=CC2=C(C=C1)OCO2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)/C(=C(/SCC=C)\SCC1=CC2=C(C=C1)OCO2)/C3=CN=CC=C3

InChI

InChI=1S/C21H21NO4S2/c1-3-10-27-21(19(20(23)24-4-2)16-6-5-9-22-12-16)28-13-15-7-8-17-18(11-15)26-14-25-17/h3,5-9,11-12H,1,4,10,13-14H2,2H3/b21-19-