ethyl 1-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]isonipecotic acid ethyl ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C19H22FNO4S/c1-3-25-19(23)12-7-9-21(10-8-12)18(22)17-13(11-24-2)16-14(20)5-4-6-15(16)26-17/h4-6,12H,3,7-11H2,1-2H3