5-ethyl-6,11-bis(oxidanylidene)-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-6,11-bis(oxidanylidene)-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-6,11-dioxo-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-6,11-dioxo-N-(2-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-6,11-dioxo-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6,11-diketo-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)S(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)S(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C22H19N3O3S/c1-2-25-18-13-15(21(26)24-14-16-7-5-6-12-23-16)10-11-20(18)29(28)19-9-4-3-8-17(19)22(25)27/h3-13H,2,14H2,1H3,(H,24,26)