ethyl (4R)-6-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-6-[3-(p-tolylsulfanyl)propanoyloxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[3-[(4-methylphenyl)thio]-1-oxopropoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[3-(p-tolylthio)propanoyloxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O5S2/c1-3-28-21(26)19-16(23-22(27)24-20(19)17-5-4-11-31-17)13-29-18(25)10-12-30-15-8-6-14(2)7-9-15/h4-9,11,20H,3,10,12-13H2,1-2H3,(H2,23,24,27)/t20-/m0/s1