ethyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

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