3,3-bis(2-methylprop-2-enylsulfanyl)-2-pyridin-3-yl-prop-2-enoic acid

Systemtic Name: 3,3-bis(2-methylprop-2-enylsulfanyl)-2-pyridin-3-yl-prop-2-enoic acid Openeye Name: 3,3-bis(2-methylallylsulfanyl)-2-(3-pyridyl)prop-2-enoic acid CAS Name: 3,3-bis(2-methylprop-2-enylthio)-2-(3-pyridinyl)-2-propenoic acid IUPAC Name: 3,3-bis(2-methylprop-2-enylsulfanyl)-2-pyridin-3-ylprop-2-enoic acid Traditional Name: 3,3-bis(2-methylallylthio)-2-(3-pyridyl)acrylic acid Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC(=C(C1=CN=CC=C1)C(=O)O)SCC(=C)C

Isomeric SMILES

CC(=C)CSC(=C(C1=CN=CC=C1)C(=O)O)SCC(=C)C

InChI

InChI=1S/C16H19NO2S2/c1-11(2)9-20-16(21-10-12(3)4)14(15(18)19)13-6-5-7-17-8-13/h5-8H,1,3,9-10H2,2,4H3,(H,18,19)