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

Systemtic Name: ethyl (4R)-2-oxidanylidene-4-phenyl-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-4-phenyl-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[[1-oxo-3-(3-thiophenyl)propoxy]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-4-phenyl-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-phenyl-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H22N2O5S/c1-2-27-20(25)18-16(12-28-17(24)9-8-14-10-11-29-13-14)22-21(26)23-19(18)15-6-4-3-5-7-15/h3-7,10-11,13,19H,2,8-9,12H2,1H3,(H2,22,23,26)/t19-/m1/s1