[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C18H20N2O5S/c1-11-7-12(2)20-18(19-11)26-10-17(22)25-9-14(21)13-5-6-15(23-3)16(8-13)24-4/h5-8H,9-10H2,1-4H3