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

Systemtic Name: 6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31

InChI

InChI=1S/C16H13NO2S/c1-2-12-11-5-3-4-6-14(11)20-15-8-7-10(16(18)19)9-13(15)17-12/h3-9H,2H2,1H3,(H,18,19)