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

Systemtic Name: N-cyclooctyl-5-[(2-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclooctyl-5-[(2-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-5-[(2-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclooctyl-5-[(2-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclooctyl-5-(2-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H29FN2O2S MolecularWeight: 488.616163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C29H29FN2O2S/c30-24-14-8-6-10-21(24)19-32-25-18-20(28(33)31-22-11-4-2-1-3-5-12-22)16-17-27(25)35-26-15-9-7-13-23(26)29(32)34/h6-10,13-18,22H,1-5,11-12,19H2,(H,31,33)