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

Systemtic Name: (E)-3-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-(2-isopentylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(3-methylbutylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(isoamylthio)pyrimidin-5-yl]acrylic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CC(C)CCSC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C12H16N2O2S/c1-9(2)5-6-17-12-13-7-10(8-14-12)3-4-11(15)16/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)/b4-3+