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

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)N3CCCCC3C(=O)N

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)N3CCCC[C@@H]3C(=O)N

InChI

InChI=1S/C19H21FN2O5S/c1-26-9-11-16-12(20)5-4-7-14(16)28-17(11)19(25)27-10-15(23)22-8-3-2-6-13(22)18(21)24/h4-5,7,13H,2-3,6,8-10H2,1H3,(H2,21,24)/t13-/m1/s1