(E)-3-(2-hexylsulfanylpyrimidin-5-yl)prop-2-enoate

Systemtic Name: (E)-3-(2-hexylsulfanylpyrimidin-5-yl)prop-2-enoate Openeye Name: (E)-3-(2-hexylsulfanylpyrimidin-5-yl)prop-2-enoate CAS Name: (E)-3-[2-(hexylthio)-5-pyrimidinyl]-2-propenoate IUPAC Name: (E)-3-(2-hexylsulfanylpyrimidin-5-yl)prop-2-enoate Traditional Name: (E)-3-[2-(hexylthio)pyrimidin-5-yl]acrylate Formula: C13H17N2O2S- MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=C(C=N1)C=CC(=O)[O-]

Isomeric SMILES

CCCCCCSC1=NC=C(C=N1)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H18N2O2S/c1-2-3-4-5-8-18-13-14-9-11(10-15-13)6-7-12(16)17/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)/p-1/b7-6+