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

Systemtic Name: ethyl 2-oxidanylidene-6-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21F3N4O3S MolecularWeight: 442.45525

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C19H21F3N4O3S/c1-3-7-26-15-8-11(19(20,21)22)5-6-13(15)25-18(26)30-10-14-12(16(27)29-4-2)9-23-17(28)24-14/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,23,24,28)