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

Systemtic Name: 6-propylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6-propylbenzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-propyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-propylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-propylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

InChI

InChI=1S/C17H15NO2S/c1-2-5-13-12-6-3-4-7-15(12)21-16-9-8-11(17(19)20)10-14(16)18-13/h3-4,6-10H,2,5H2,1H3,(H,19,20)