3-azanylbenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-azanylbenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-aminobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-amino-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-aminobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-aminobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H11NO2S MolecularWeight: 269.31834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)N)C(=O)O

InChI

InChI=1S/C15H11NO2S/c16-12-5-6-13-10(7-12)3-1-9-2-4-11(15(17)18)8-14(9)19-13/h1-8H,16H2,(H,17,18)