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

Systemtic Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl ethanoate Openeye Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)ethoxy]ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(=O)OCCOCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H27N3O3S/c1-18(27)29-17-16-28-15-14-25-10-12-26(13-11-25)23-19-6-2-4-8-21(19)30-22-9-5-3-7-20(22)24-23/h2-9H,10-17H2,1H3