5-cycloheptyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile

Systemtic Name: 5-cycloheptyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Openeye Name: 5-cycloheptyl-6-oxo-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile CAS Name: 5-cycloheptyl-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile IUPAC Name: 5-cycloheptyl-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Traditional Name: 5-cycloheptyl-6-keto-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CCCC(CC1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H19N3OS/c23-13-15-11-19-21(12-16(15)14-24)27-20-10-6-5-9-18(20)22(26)25(19)17-7-3-1-2-4-8-17/h5-6,9-12,17H,1-4,7-8H2