6-azanylbenzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 6-azanylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6-aminobenzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-amino-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-aminobenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-aminobenzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O2S/c15-13-9-3-1-2-4-11(9)19-12-6-5-8(14(17)18)7-10(12)16-13/h1-7H,(H2,15,16)(H,17,18)