6-ethyl-N-(furan-2-ylmethyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-N-(furan-2-ylmethyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-(2-furylmethyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-(2-furanylmethyl)-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-(furan-2-ylmethyl)-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(2-furfuryl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C22H20N2O2S/c1-3-18-17-11-14(2)6-8-20(17)27-21-9-7-15(12-19(21)24-18)22(25)23-13-16-5-4-10-26-16/h4-12H,3,13H2,1-2H3,(H,23,25)