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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(2-methylphenyl)methylsulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-(o-tolylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(2-methylphenyl)methylthio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(2-methylphenyl)methylsulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[(2-methylbenzyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSCC2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSCC2=CC=CC=C2C)C(=O)OCC

InChI

InChI=1S/C18H24N2O3S/c1-4-14-16(17(21)23-5-2)15(20-18(22)19-14)11-24-10-13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3,(H2,19,20,22)/t14-/m0/s1