(E)-3-[2-(2-methylpropylsulfanyl)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-methylpropylsulfanyl)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-(2-isobutylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(2-methylpropylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-methylpropylsulfanyl)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(isobutylthio)pyrimidin-5-yl]acrylic acid Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CC(C)CSC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C11H14N2O2S/c1-8(2)7-16-11-12-5-9(6-13-11)3-4-10(14)15/h3-6,8H,7H2,1-2H3,(H,14,15)/b4-3+