acetyloxymethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate

Systemtic Name: acetyloxymethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Openeye Name: acetoxymethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylic acid acetoxymethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(=O)OCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O4S/c1-15(25)27-14-28-21(26)24-12-10-23(11-13-24)20-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)22-20/h2-9H,10-14H2,1H3