[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-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-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-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-(4-carbethoxypiperidino)-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

InChI

InChI=1S/C21H25N3O6S/c1-4-28-20(26)14-7-9-24(10-8-14)16(25)12-30-21(27)17-13(2)22-18(23-19(17)31-3)15-6-5-11-29-15/h5-6,11,14H,4,7-10,12H2,1-3H3