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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-11,11-bis(oxidanylidene)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-chlorophenyl)methyl]-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-chlorophenyl)methyl]-11,11-dioxo-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-chlorophenyl)methyl]-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-chlorobenzyl)-11,11-diketo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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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=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN2O4S/c26-19-10-7-17(8-11-19)16-28-21-15-18(24(29)27-13-3-4-14-27)9-12-23(21)33(31,32)22-6-2-1-5-20(22)25(28)30/h1-2,5-12,15H,3-4,13-14,16H2