3-chloranyl-11-oxidanylidene-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid

Systemtic Name: 3-chloranyl-11-oxidanylidene-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid Openeye Name: 3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid CAS Name: 3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid IUPAC Name: 3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid Traditional Name: 3-chloro-11-keto-6H-benzo[b][1,4]benzothiazepine-5-carboxylic acid Formula: C14H10ClNO3S MolecularWeight: 307.7521

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2S(=O)C3=C(N1C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2S(=O)C3=C(N1C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C14H10ClNO3S/c15-10-5-6-13-11(7-10)16(14(17)18)8-9-3-1-2-4-12(9)20(13)19/h1-7H,8H2,(H,17,18)