ethyl 6-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23ClN2O5S MolecularWeight: 426.91432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C19H23ClN2O5S/c1-3-13-17(18(24)26-4-2)14(22-19(25)21-13)11-27-16(23)9-10-28-15-8-6-5-7-12(15)20/h5-8,13H,3-4,9-11H2,1-2H3,(H2,21,22,25)