6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C17H15NO2S/c1-3-13-12-8-10(2)4-6-15(12)21-16-7-5-11(17(19)20)9-14(16)18-13/h4-9H,3H2,1-2H3,(H,19,20)