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

Systemtic Name: 5-methyl-6-oxidanylidene-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-methyl-6-oxo-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-methyl-6-oxo-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-methyl-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-methyl-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C20H20N2O3S/c1-22-16-11-13(19(23)21-12-14-5-4-10-25-14)8-9-18(16)26-17-7-3-2-6-15(17)20(22)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,23)