tert-butyl 2-[5-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-6-(methylthio)-4-pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[(2-tert-butoxy-2-keto-ethyl)thio]-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]acetic acid tert-butyl ester Formula: C18H25N3O4S3 MolecularWeight: 443.6038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=NC(=C1C#N)SC)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC(=NC(=C1C#N)SC)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O4S3/c1-17(2,3)24-12(22)9-27-15-11(8-19)14(26-7)20-16(21-15)28-10-13(23)25-18(4,5)6/h9-10H2,1-7H3