[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O5S/c1-12-15(13(2)22-20(21-12)28-3)5-7-19(24)27-11-16(23)14-4-6-17-18(10-14)26-9-8-25-17/h4,6,10H,5,7-9,11H2,1-3H3