ethyl 4-fluoranyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC

InChI

InChI=1S/C19H19FN2O3S2/c1-3-6-11-9-15(23)22-19(21-11)26-10-12-16-13(20)7-5-8-14(16)27-17(12)18(24)25-4-2/h5,7-9H,3-4,6,10H2,1-2H3,(H,21,22,23)