ethyl 6-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26ClN3O7S MolecularWeight: 499.96504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C(=O)OCC

InChI

InChI=1S/C21H26ClN3O7S/c1-3-15-18(20(27)31-4-2)16(24-21(28)23-15)12-32-19(26)13-7-8-14(22)17(11-13)33(29,30)25-9-5-6-10-25/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H2,23,24,28)