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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(methylthio)nicotinoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=C(N=CC=C2)SC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=C(N=CC=C2)SC)C(=O)OCC

InChI

InChI=1S/C17H21N3O5S/c1-4-11-13(16(22)24-5-2)12(20-17(23)19-11)9-25-15(21)10-7-6-8-18-14(10)26-3/h6-8,11H,4-5,9H2,1-3H3,(H2,19,20,23)/t11-/m0/s1