5-[(2-fluorophenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-fluorophenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-fluorophenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-fluorobenzyl)-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C25H21FN2O3S/c26-20-7-3-1-5-18(20)16-28-21-15-17(24(29)27-11-13-31-14-12-27)9-10-23(21)32-22-8-4-2-6-19(22)25(28)30/h1-10,15H,11-14,16H2