2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl benzoate

Systemtic Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl benzoate Openeye Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl benzoate CAS Name: benzoic acid 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]ethoxy]ethyl ester IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl benzoate Traditional Name: benzoic acid 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)ethoxy]ethyl ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCOC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CCOCCOC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H29N3O3S/c32-28(22-8-2-1-3-9-22)34-21-20-33-19-18-30-14-16-31(17-15-30)27-23-10-4-6-12-25(23)35-26-13-7-5-11-24(26)29-27/h1-13H,14-21H2