(E)-3-(2-butan-2-ylsulfanylpyrimidin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-butan-2-ylsulfanylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-sec-butylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(butan-2-ylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-(2-butan-2-ylsulfanylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[2-(sec-butylthio)pyrimidin-5-yl]acrylic acid Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CCC(C)SC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C11H14N2O2S/c1-3-8(2)16-11-12-6-9(7-13-11)4-5-10(14)15/h4-8H,3H2,1-2H3,(H,14,15)/b5-4+