ethyl (4S)-6-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(5S,7R)-3-chloroadamantane-1-carbonyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(5S,7R)-3-chloroadamantane-1-carbonyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(5S,7R)-3-chloroadamantane-1-carbonyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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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)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-2-30-19(27)17-15(25-21(29)26-18(17)16-4-3-5-32-16)11-31-20(28)22-7-13-6-14(8-22)10-23(24,9-13)12-22/h3-5,13-14,18H,2,6-12H2,1H3,(H2,25,26,29)/t13-,14+,18-,22?,23?/m1/s1