3-azanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-azanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-amino-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-amino-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-amino-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-amino-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N)SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)N)SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C15H13NO2S/c16-12-5-6-13-10(7-12)3-1-9-2-4-11(15(17)18)8-14(9)19-13/h2,4-8H,1,3,16H2,(H,17,18)