[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-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-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-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-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C22H21N3O5S2/c1-12-19(21(32-4)25-20(23-12)17-6-5-9-29-17)22(28)30-11-16(27)14-7-8-18(31-3)15(10-14)24-13(2)26/h5-10H,11H2,1-4H3,(H,24,26)