5-[(4-fluorophenyl)methyl]-3-morpholin-4-ylcarbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-3-morpholin-4-ylcarbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-fluorobenzyl)-11-keto-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN2O4S/c26-19-8-5-17(6-9-19)16-28-21-15-18(24(29)27-11-13-32-14-12-27)7-10-23(21)33(31)22-4-2-1-3-20(22)25(28)30/h1-10,15H,11-14,16H2