6-ethylidene-8-methyl-N-(oxolan-2-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethylidene-8-methyl-N-(oxolan-2-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethylidene-8-methyl-N-(tetrahydrofuran-2-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethylidene-8-methyl-N-(2-oxolanylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-ethylidene-8-methyl-N-(oxolan-2-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethylidene-8-methyl-N-(tetrahydrofurfuryl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC4CCCO4

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H24N2O2S/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/h3,6-9,11-12,16,24H,4-5,10,13H2,1-2H3,(H,23,25)