ethyl 1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(5-nitrobenzothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-nitro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(5-nitrobenzothiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

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