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

Systemtic Name: N-(furan-2-ylmethyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-(2-furylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-furanylmethyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-(2-furfuryl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H18N2O3S/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)