(E)-3-(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(1-tert-butyl-2-thioxo-3-pyridyl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(1-tert-butyl-2-sulfanylidene-3-pyridinyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(1-tert-butyl-2-sulfanylidenepyridin-3-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(1-tert-butyl-2-thioxo-3-pyridyl)-2-methyl-acrylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CN(C1=S)C(C)(C)C)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CN(C1=S)C(C)(C)C)/C(=O)O

InChI

InChI=1S/C13H17NO2S/c1-9(12(15)16)8-10-6-5-7-14(11(10)17)13(2,3)4/h5-8H,1-4H3,(H,15,16)/b9-8+