1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]isonipecotic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC=C2C3=CC=CC=C3CSC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1C(=O)O)C/C=C\2/C3=CC=CC=C3CSC4=CC=CC=C42

InChI

InChI=1S/C22H23NO2S/c24-22(25)16-9-12-23(13-10-16)14-11-19-18-6-2-1-5-17(18)15-26-21-8-4-3-7-20(19)21/h1-8,11,16H,9-10,12-15H2,(H,24,25)/b19-11-