methyl 6,11,11-tris(oxidanylidene)-5H-benzo[b][1,4]benzothiazepine-9-carboxylate

Systemtic Name: methyl 6,11,11-tris(oxidanylidene)-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 6,11,11-triketo-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H11NO5S/c1-21-15(18)9-6-7-10-13(8-9)22(19,20)12-5-3-2-4-11(12)16-14(10)17/h2-8H,1H3,(H,16,17)