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

Systemtic Name: 6-oxidanylidene-5-prop-2-enyl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-(2-thienylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-5-prop-2-enyl-N-(thiophen-2-ylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-5-prop-2-enyl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-(2-thenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CS3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CS3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H18N2O2S2/c1-2-11-24-18-13-15(21(25)23-14-16-6-5-12-27-16)9-10-20(18)28-19-8-4-3-7-17(19)22(24)26/h2-10,12-13H,1,11,14H2,(H,23,25)