ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-oxo-6-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]oxymethyl]-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O6S/c1-3-30-21(28)19-14(2)23-22(29)24-16(19)12-31-20(27)15-8-4-5-9-17(15)32-13-18(26)25-10-6-7-11-25/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H2,23,24,29)/t14-/m0/s1