ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2,5-diethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

InChI

InChI=1S/C25H28N4O5S/c1-4-32-15-11-12-20(33-5-2)16(13-15)22-21(23(30)34-6-3)19(26-24(31)29-22)14-35-25-27-17-9-7-8-10-18(17)28-25/h7-13,22H,4-6,14H2,1-3H3,(H,27,28)(H2,26,29,31)