methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(2-keto-2-mesityl-ethyl)thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-10-5-11(2)17(12(3)6-10)14(21)9-25-18-19-13(7-15(22)20-18)8-16(23)24-4/h5-7H,8-9H2,1-4H3,(H,19,20,22)