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

Systemtic Name: (E)-3-(2-prop-2-enylsulfanylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-allylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(prop-2-enylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-(2-prop-2-enylsulfanylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[2-(allylthio)pyrimidin-5-yl]acrylic acid Formula: C10H10N2O2S MolecularWeight: 222.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2S/c1-2-5-15-10-11-6-8(7-12-10)3-4-9(13)14/h2-4,6-7H,1,5H2,(H,13,14)/b4-3+