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

Systemtic Name: (E)-3-(2-cyclohexylsulfanylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-cyclohexylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(cyclohexylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-(2-cyclohexylsulfanylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[2-(cyclohexylthio)pyrimidin-5-yl]acrylic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C13H16N2O2S/c16-12(17)7-6-10-8-14-13(15-9-10)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,16,17)/b7-6+