ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(2-piperidin-1-ylsulfonylphenyl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(2-piperidin-1-ylsulfonylphenyl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(1-piperidylsulfonyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[oxo-[2-(1-piperidinylsulfonyl)phenyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(2-piperidin-1-ylsulfonylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(2-piperidinosulfonylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C22H29N3O7S/c1-3-16-19(21(27)31-4-2)17(24-22(28)23-16)14-32-20(26)15-10-6-7-11-18(15)33(29,30)25-12-8-5-9-13-25/h6-7,10-11,16H,3-5,8-9,12-14H2,1-2H3,(H2,23,24,28)/t16-/m0/s1