6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid

Systemtic Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid Openeye Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid CAS Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid IUPAC Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid Traditional Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzothiazepine-9-carboxylic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SCC3=CC=C(N31)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SCC3=CC=C(N31)C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)11-6-5-10-8-17-12-4-2-1-3-9(12)7-14(10)11/h1-6H,7-8H2,(H,15,16)