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

Systemtic Name: 1-acetyloxyethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Openeye Name: 1-acetoxyethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxylic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylic acid 1-acetoxyethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(OC(=O)C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O4S/c1-15(26)28-16(2)29-22(27)25-13-11-24(12-14-25)21-17-7-3-5-9-19(17)30-20-10-6-4-8-18(20)23-21/h3-10,16H,11-14H2,1-2H3