ethyl 2-[6-(methylsulfanylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(methylsulfanylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(methylsulfanylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[(methylthio)methyl]-2-phenyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[(methylthio)methyl]-2-phenyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CSC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CSC)C2=CC=CC=C2

InChI

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