(E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pent-3-enoic acid

Systemtic Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pent-3-enoic acid Openeye Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pent-3-enoic acid CAS Name: (E)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-pentenoic acid IUPAC Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylpent-3-enoic acid Traditional Name: (E)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-pent-3-enoic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-5-7(2)10(11(15)16)19-12-13-8(17-3)6-9(14-12)18-4/h5-6,10H,1-4H3,(H,15,16)/b7-5+