ethyl 6-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1-(o-tolyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[1-(2-methylphenyl)-2-imidazolyl]thio]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[1-(o-tolyl)imidazol-2-yl]thio]methyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC=CN3C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC=CN3C4=CC=CC=C4C

InChI

InChI=1S/C22H22N4O3S2/c1-3-29-20(27)18-15(24-21(28)25-19(18)17-9-6-12-30-17)13-31-22-23-10-11-26(22)16-8-5-4-7-14(16)2/h4-12,19H,3,13H2,1-2H3,(H2,24,25,28)