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

Systemtic Name: ethyl (4S)-4-(4-tert-butylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(benzenesulfonylmethyl)-4-(4-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(besylmethyl)-4-(4-tert-butylphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C(C)(C)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)C(C)(C)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c1-5-31-22(27)20-19(15-32(29,30)18-9-7-6-8-10-18)25-23(28)26-21(20)16-11-13-17(14-12-16)24(2,3)4/h6-14,21H,5,15H2,1-4H3,(H2,25,26,28)/t21-/m0/s1