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

Systemtic Name: ethyl 5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S/c1-3-19-14-11-12(18(21)22-4-2)9-10-16(14)23-15-8-6-5-7-13(15)17(19)20/h5-11H,3-4H2,1-2H3