methyl 2-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-2-(4-methoxyphenyl)-6-methyl-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-cyano-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-10-13(8-17)16(23-9-14(20)22-3)19-15(18-10)11-4-6-12(21-2)7-5-11/h4-7H,9H2,1-3H3