2-benzo[b][1,4]benzothiazepin-7-ylbenzoic acid

Systemtic Name: 2-benzo[b][1,4]benzothiazepin-7-ylbenzoic acid Openeye Name: 2-benzo[b][1,4]benzothiazepin-7-ylbenzoic acid CAS Name: 2-(7-benzo[b][1,4]benzothiazepinyl)benzoic acid IUPAC Name: 2-benzo[b][1,4]benzothiazepin-7-ylbenzoic acid Traditional Name: 2-benzo[b][1,4]benzothiazepin-7-ylbenzoic acid Formula: C20H13NO2S MolecularWeight: 331.38772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=NC4=CC=CC=C4SC3=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=NC4=CC=CC=C4SC3=CC=C2)C(=O)O

InChI

InChI=1S/C20H13NO2S/c22-20(23)15-7-2-1-6-13(15)14-8-5-11-18-16(14)12-21-17-9-3-4-10-19(17)24-18/h1-12H,(H,22,23)