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

Systemtic Name: ethyl 4-(2,5-diethoxyphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-diethoxyphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-diethoxyphenyl)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-diethoxyphenyl)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-diethoxyphenyl)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)OCC)C(=O)OCC

InChI

InChI=1S/C27H32N4O6S/c1-5-34-16-10-12-22(36-7-3)18(13-16)24-23(25(32)37-8-4)21(28-26(33)31-24)15-38-27-29-19-11-9-17(35-6-2)14-20(19)30-27/h9-14,24H,5-8,15H2,1-4H3,(H,29,30)(H2,28,31,33)