(E)-3-(2-butylsulfanylpyrimidin-5-yl)prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CCCCSC1=NC=C(C=N1)/C=C/C(=O)O

InChI

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