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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[(2-ethoxy-2-oxoethyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[[(2-ethoxy-2-keto-ethyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C18H21ClN2O5S/c1-3-25-14(22)10-27-9-13-15(17(23)26-4-2)16(21-18(24)20-13)11-5-7-12(19)8-6-11/h5-8,16H,3-4,9-10H2,1-2H3,(H2,20,21,24)