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

Systemtic Name: 6-oxidanylidene-5-prop-2-enyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-5-prop-2-enyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-5-prop-2-enyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H19N3O2S/c1-2-12-26-19-13-17(22(27)25-15-16-6-5-11-24-14-16)9-10-21(19)29-20-8-4-3-7-18(20)23(26)28/h2-11,13-14H,1,12,15H2,(H,25,27)