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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC=CN2C3=CC=CC(=C3)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC=CN2C3=CC=CC(=C3)C)C(=O)OCC

InChI

InChI=1S/C20H24N4O3S/c1-4-15-17(18(25)27-5-2)16(23-19(26)22-15)12-28-20-21-9-10-24(20)14-8-6-7-13(3)11-14/h6-11,15H,4-5,12H2,1-3H3,(H2,22,23,26)/t15-/m0/s1