ethyl (4S)-6-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-(1,3-benzoxazol-2-ylthio)acetyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OCC

InChI

InChI=1S/C19H21N3O6S/c1-3-11-16(17(24)26-4-2)13(21-18(25)20-11)9-27-15(23)10-29-19-22-12-7-5-6-8-14(12)28-19/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,25)/t11-/m0/s1