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

Systemtic Name: ethyl (4R)-6-(1-adamantylcarbonyloxymethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(adamantane-1-carbonyloxymethyl)-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[1-adamantyl(oxo)methoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(adamantane-1-carbonyloxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(adamantane-1-carbonyloxymethyl)-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O5S/c1-2-29-20(26)18-16(24-22(28)25-19(18)17-4-3-5-31-17)12-30-21(27)23-9-13-6-14(10-23)8-15(7-13)11-23/h3-5,13-15,19H,2,6-12H2,1H3,(H2,24,25,28)/t13?,14?,15?,19-,23?/m0/s1