ethyl (4R)-2-oxidanylidene-6-(3-phenylsulfanylpropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-2-oxidanylidene-6-(3-phenylsulfanylpropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-6-(3-phenylsulfanylpropanoyloxymethyl)-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[[1-oxo-3-(phenylthio)propoxy]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-6-(3-phenylsulfanylpropanoyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[3-(phenylthio)propanoyloxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-2-27-20(25)18-15(22-21(26)23-19(18)16-9-6-11-30-16)13-28-17(24)10-12-29-14-7-4-3-5-8-14/h3-9,11,19H,2,10,12-13H2,1H3,(H2,22,23,26)/t19-/m0/s1