5-ethyl-6-oxidanylidene-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-6-oxidanylidene-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-(3-isopropoxypropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-6-oxo-N-(3-propan-2-yloxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-6-oxo-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-N-(3-isopropoxypropyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-4-24-18-14-16(21(25)23-12-7-13-27-15(2)3)10-11-20(18)28-19-9-6-5-8-17(19)22(24)26/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,23,25)