ethyl 3-[[(3R)-3-aminocarbonylpiperidin-1-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(3R)-3-aminocarbonylpiperidin-1-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[(3R)-3-carbamoyl-1-piperidyl]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(3R)-3-carbamoyl-1-piperidinyl]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(3R)-3-carbamoylpiperidin-1-yl]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(3R)-3-carbamoylpiperidino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H21FN2O3S/c1-2-24-18(23)16-12(15-13(19)6-3-7-14(15)25-16)10-21-8-4-5-11(9-21)17(20)22/h3,6-7,11H,2,4-5,8-10H2,1H3,(H2,20,22)/t11-/m1/s1