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

Systemtic Name: ethyl 6-[3-(4-chlorophenyl)sulfanylpropanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(4-chlorophenyl)sulfanylpropanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[3-[(4-chlorophenyl)thio]-1-oxopropoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(4-chlorophenyl)sulfanylpropanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-chlorophenyl)thio]propanoyloxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2O5S/c1-2-24-16(22)13-9-19-17(23)20-14(13)10-25-15(21)7-8-26-12-5-3-11(18)4-6-12/h3-6H,2,7-10H2,1H3,(H2,19,20,23)