ethyl (4R)-6-(diethylcarbamothioylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-(diethylcarbamothioylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(diethylcarbamothioylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(diethylcarbamothioylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(diethylthiocarbamoylthio)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC1=C([C@H](NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C20H27N3O4S2/c1-5-23(6-2)20(28)29-12-15-16(18(24)27-7-3)17(22-19(25)21-15)13-8-10-14(26-4)11-9-13/h8-11,17H,5-7,12H2,1-4H3,(H2,21,22,25)/t17-/m1/s1