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

Systemtic Name: 5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C15H11NO3S/c1-16-11-8-9(15(18)19)6-7-13(11)20-12-5-3-2-4-10(12)14(16)17/h2-8H,1H3,(H,18,19)