6-morpholin-4-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid

Systemtic Name: 6-morpholin-4-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid Openeye Name: 6-morpholinobenzo[b][1,4]benzothiazepine-9-carboxylic acid CAS Name: 6-(4-morpholinyl)-9-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-morpholin-4-ylbenzo[b][1,4]benzothiazepine-9-carboxylic acid Traditional Name: 6-morpholinobenzo[b][1,4]benzothiazepine-9-carboxylic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=CC=CC=C3SC4=C2C=CC(=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=NC3=CC=CC=C3SC4=C2C=CC(=C4)C(=O)O

InChI

InChI=1S/C18H16N2O3S/c21-18(22)12-5-6-13-16(11-12)24-15-4-2-1-3-14(15)19-17(13)20-7-9-23-10-8-20/h1-6,11H,7-10H2,(H,21,22)