N-(3-ethoxypropyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-(3-ethoxypropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-(3-ethoxypropyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H24N2O3S/c1-3-13-24-18-15-16(21(25)23-12-7-14-27-4-2)10-11-20(18)28-19-9-6-5-8-17(19)22(24)26/h3,5-6,8-11,15H,1,4,7,12-14H2,2H3,(H,23,25)