11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-2-carboxylic acid

Systemtic Name: 11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-2-carboxylic acid Openeye Name: 11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzothiepine-2-carboxylic acid CAS Name: 11-(1-methyl-4-piperidinylidene)-6H-benzo[c][1]benzothiepin-2-carboxylic acid IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-2-carboxylic acid Traditional Name: 11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzothiepin-2-carboxylic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)C(=O)O)CC1

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)C(=O)O)CC1

InChI

InChI=1S/C21H21NO2S/c1-22-10-8-14(9-11-22)20-17-5-3-2-4-16(17)13-25-19-7-6-15(21(23)24)12-18(19)20/h2-7,12H,8-11,13H2,1H3,(H,23,24)