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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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