ethyl (4R)-4-(4-chlorophenyl)-5-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate

Systemtic Name: ethyl (4R)-4-(4-chlorophenyl)-5-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Openeye Name: ethyl (4R)-4-(4-chlorophenyl)-5-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylate CAS Name: (4R)-4-(4-chlorophenyl)-5-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-chlorophenyl)-5-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Traditional Name: (4R)-4-(4-chlorophenyl)-5-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H15ClN2O2S/c1-3-19-13(18)12-8(2)11(16-14(20)17-12)9-4-6-10(15)7-5-9/h4-7,11H,3H2,1-2H3,(H2,16,17,20)/t11-/m0/s1