ethyl 2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)C)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)C)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S2/c1-3-22-16(21)11-23-15-9-12(2)18-17(19-15)24-10-14(20)13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3