6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)O)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)O)SC2=C(C=C1)C)C

InChI

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