methyl 2-[6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[6-methyl-2-(p-tolylmethylsulfanyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-methyl-2-[(4-methylphenyl)methylthio]-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-methyl-2-[(4-methylbenzyl)thio]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=CC(=N2)SCC(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=CC(=N2)SCC(=O)OC)C

InChI

InChI=1S/C16H18N2O2S2/c1-11-4-6-13(7-5-11)9-22-16-17-12(2)8-14(18-16)21-10-15(19)20-3/h4-8H,9-10H2,1-3H3