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

Systemtic Name: ethyl 4-(2,5-diethoxyphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-diethoxyphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-diethoxyphenyl)-6-[[(6-methyl-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-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-diethoxyphenyl)-2-keto-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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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)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)