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

Systemtic Name: 5-(phenylmethyl)-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo(1-pyrrolidinyl)methyl]-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C25H22N2O2S MolecularWeight: 414.51938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O2S/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)30-23/h1-5,8-13,16H,6-7,14-15,17H2