6-(diethylamino)benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 6-(diethylamino)benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6-(diethylamino)benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-(diethylamino)-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-(diethylamino)benzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-(diethylamino)benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

Isomeric SMILES

CCN(CC)C1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

InChI

InChI=1S/C18H18N2O2S/c1-3-20(4-2)17-13-7-5-6-8-15(13)23-16-10-9-12(18(21)22)11-14(16)19-17/h5-11H,3-4H2,1-2H3,(H,21,22)