[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C17H18FNO3S/c1-11-4-3-7-19(9-11)16(20)10-22-17(21)15-8-12-13(18)5-2-6-14(12)23-15/h2,5-6,8,11H,3-4,7,9-10H2,1H3/t11-/m0/s1