(E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-prop-2-enoic acid

Systemtic Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-prop-2-enoic acid Openeye Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-prop-2-enoic acid CAS Name: (E)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-phenyl-2-propenoic acid IUPAC Name: (E)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenylprop-2-enoic acid Traditional Name: (E)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-phenyl-acrylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC(=CC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)S/C(=C/C2=CC=CC=C2)/C(=O)O)OC

InChI

InChI=1S/C15H14N2O4S/c1-20-12-9-13(21-2)17-15(16-12)22-11(14(18)19)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)/b11-8+