(E)-2-ethoxycarbonyl-3-[(2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoic acid

Systemtic Name: (E)-2-ethoxycarbonyl-3-[(2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoic acid Openeye Name: (E)-2-ethoxycarbonyl-3-[(2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoic acid CAS Name: (E)-2-ethoxycarbonyl-3-[[2-(methylthio)-4-pyrimidinyl]amino]-2-propenoic acid IUPAC Name: (E)-2-ethoxycarbonyl-3-[(2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoic acid Traditional Name: (E)-2-carbethoxy-3-[[2-(methylthio)pyrimidin-4-yl]amino]acrylic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)SC)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=NC=C1)SC)/C(=O)O

InChI

InChI=1S/C11H13N3O4S/c1-3-18-10(17)7(9(15)16)6-13-8-4-5-12-11(14-8)19-2/h4-6H,3H2,1-2H3,(H,15,16)(H,12,13,14)/b7-6+