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

Systemtic Name: 5-ethyl-6-oxidanylidene-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-6-oxo-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-6-oxo-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H22N2O3S/c1-2-23-17-12-14(20(24)22-13-15-6-5-11-26-15)9-10-19(17)27-18-8-4-3-7-16(18)21(23)25/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,24)