[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

InChI

InChI=1S/C21H20N2O4S/c1-12-7-8-13(2)15(10-12)16(24)11-27-21(25)18-14(3)22-19(23-20(18)28-4)17-6-5-9-26-17/h5-10H,11H2,1-4H3