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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(2-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-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-(o-phenetidino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

InChI

InChI=1S/C21H21N3O5S/c1-4-27-15-9-6-5-8-14(15)23-17(25)12-29-21(26)18-13(2)22-19(24-20(18)30-3)16-10-7-11-28-16/h5-11H,4,12H2,1-3H3,(H,23,25)