(E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methoxy-but-2-enoic acid

Systemtic Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methoxy-but-2-enoic acid Openeye Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methoxy-but-2-enoic acid Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)SC1=NC(=CC(=N1)OC)OC)OC

Isomeric SMILES

C/C(=C(/C(=O)O)\SC1=NC(=CC(=N1)OC)OC)/OC

InChI

InChI=1S/C11H14N2O5S/c1-6(16-2)9(10(14)15)19-11-12-7(17-3)5-8(13-11)18-4/h5H,1-4H3,(H,14,15)/b9-6+