methyl (4S)-4-(2,5-dimethylphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(C(NC(=O)N3)C4=C(C=CC(=C4)C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C([C@@H](NC(=O)N3)C4=C(C=CC(=C4)C)C)C(=O)OC

InChI

InChI=1S/C24H26N4O4S/c1-5-32-15-8-9-17-18(11-15)27-24(26-17)33-12-19-20(22(29)31-4)21(28-23(30)25-19)16-10-13(2)6-7-14(16)3/h6-11,21H,5,12H2,1-4H3,(H,26,27)(H2,25,28,30)/t21-/m0/s1