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

Systemtic Name: 11,11-bis(oxidanylidene)-5-(phenylmethyl)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 11,11-dioxo-3-[oxo(1-pyrrolidinyl)methyl]-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-11,11-dioxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-11,11-diketo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H22N2O4S MolecularWeight: 446.51818

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c28-24(26-14-6-7-15-26)19-12-13-23-21(16-19)27(17-18-8-2-1-3-9-18)25(29)20-10-4-5-11-22(20)32(23,30)31/h1-5,8-13,16H,6-7,14-15,17H2