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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(4-fluorobenzothiophene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(4-fluoro-1-benzothiophene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[(4-fluorobenzothiophene-2-carbonyl)oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)OCC

InChI

InChI=1S/C19H19FN2O5S/c1-3-12-16(18(24)26-4-2)13(22-19(25)21-12)9-27-17(23)15-8-10-11(20)6-5-7-14(10)28-15/h5-8,12H,3-4,9H2,1-2H3,(H2,21,22,25)/t12-/m0/s1