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

Systemtic Name: (E)-3-(2-ethylsulfanylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-ethylsulfanylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-[2-(ethylthio)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-(2-ethylsulfanylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[2-(ethylthio)pyrimidin-5-yl]acrylic acid Formula: C9H10N2O2S MolecularWeight: 210.2529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O2S/c1-2-14-9-10-5-7(6-11-9)3-4-8(12)13/h3-6H,2H2,1H3,(H,12,13)/b4-3+