2-(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)ethanoic acid

Systemtic Name: 2-(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)ethanoic acid Openeye Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetic acid CAS Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetic acid IUPAC Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetic acid Traditional Name: 2-(6-keto-5H-benzo[b][1,4]benzothiazepin-9-yl)acetic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C15H11NO3S/c17-14(18)8-9-5-6-10-13(7-9)20-12-4-2-1-3-11(12)16-15(10)19/h1-7H,8H2,(H,16,19)(H,17,18)