benzo[b][1,4]benzothiazepine-2-carboxylic acid

Systemtic Name: benzo[b][1,4]benzothiazepine-2-carboxylic acid Openeye Name: benzo[b][1,4]benzothiazepine-2-carboxylic acid CAS Name: 2-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: benzo[b][1,4]benzothiazepine-2-carboxylic acid Traditional Name: benzo[b][1,4]benzothiazepine-2-carboxylic acid Formula: C14H9NO2S MolecularWeight: 255.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H9NO2S/c16-14(17)9-5-6-11-13(7-9)18-12-4-2-1-3-10(12)8-15-11/h1-8H,(H,16,17)