5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-fluorophenyl)methyl]-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-fluorophenyl)methyl]-11,11-dioxo-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-fluorophenyl)methyl]-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-fluorobenzyl)-11,11-diketo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

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