2-(2-hydroxyethyloxy)ethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Openeye Name: 2-(2-hydroxyethoxy)ethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester IUPAC Name: 2-(2-hydroxyethoxy)ethyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylic acid 2-(2-hydroxyethoxy)ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C(=O)OCCOCCO

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C(=O)OCCOCCO

InChI

InChI=1S/C22H25N3O4S/c26-13-14-28-15-16-29-22(27)25-11-9-24(10-12-25)21-17-5-1-3-7-19(17)30-20-8-4-2-6-18(20)23-21/h1-8,26H,9-16H2