ethyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-ethoxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(benzenesulfonylmethyl)-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(besylmethyl)-4-(4-ethoxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OCC)OC

InChI

InChI=1S/C23H26N2O7S/c1-4-31-18-12-11-15(13-19(18)30-3)21-20(22(26)32-5-2)17(24-23(27)25-21)14-33(28,29)16-9-7-6-8-10-16/h6-13,21H,4-5,14H2,1-3H3,(H2,24,25,27)/t21-/m0/s1