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

Systemtic Name: 6-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-[3-(2-ketopyrrolidino)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3=O)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3=O)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H25N3O3S/c1-2-13-27-19-16-17(23(29)25-12-6-15-26-14-5-9-22(26)28)10-11-21(19)31-20-8-4-3-7-18(20)24(27)30/h2-4,7-8,10-11,16H,1,5-6,9,12-15H2,(H,25,29)