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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-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-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-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-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c1-11-6-7-13(9-14(11)24(27)28)22-16(25)10-30-20(26)17-12(2)21-18(23-19(17)31-3)15-5-4-8-29-15/h4-9H,10H2,1-3H3,(H,22,25)