6-(6-methoxypyridin-2-yl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(6-methoxypyridin-2-yl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(6-methoxy-2-pyridyl)-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(6-methoxy-2-pyridinyl)-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(6-methoxypyridin-2-yl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(6-methoxy-2-pyridyl)-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)SC5=CC=CC=C52

Isomeric SMILES

COC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)SC5=CC=CC=C52

InChI

InChI=1S/C25H23N3O3S/c1-30-23-10-4-8-19(27-23)24-18-7-2-3-9-21(18)32-22-12-11-16(14-20(22)28-24)25(29)26-15-17-6-5-13-31-17/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,26,29)