5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H20ClFN2O2S MolecularWeight: 466.954903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C25H20ClFN2O2S/c26-19-7-5-8-20(27)18(19)15-29-21-14-16(24(30)28-12-3-4-13-28)10-11-23(21)32-22-9-2-1-6-17(22)25(29)31/h1-2,5-11,14H,3-4,12-13,15H2