5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C16H13NO3S/c1-2-17-12-9-10(16(19)20)7-8-14(12)21-13-6-4-3-5-11(13)15(17)18/h3-9H,2H2,1H3,(H,19,20)