[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-11-4-2-3-7-18(11)16(20)10-24-17(21)15-9-12-8-13(19(22)23)5-6-14(12)25-15/h5-6,8-9,11H,2-4,7,10H2,1H3/t11-/m0/s1