ethyl (4S)-6-(1-adamantylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-(1-adamantylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(1-adamantylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1-adamantylthio)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(1-adamantylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1-adamantylthio)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC23CC4CC(C2)CC(C4)C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC23CC4CC(C2)CC(C4)C3)C(=O)OCC

InChI

InChI=1S/C20H30N2O3S/c1-3-15-17(18(23)25-4-2)16(22-19(24)21-15)11-26-20-8-12-5-13(9-20)7-14(6-12)10-20/h12-15H,3-11H2,1-2H3,(H2,21,22,24)/t12?,13?,14?,15-,20?/m0/s1