ethyl 4-benzo[b][1]benzothiepin-5-ylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-benzo[b][1]benzothiepin-5-ylpiperazine-1-carboxylate Openeye Name: ethyl 4-benzo[b][1]benzothiepin-5-ylpiperazine-1-carboxylate CAS Name: 4-(5-benzo[b][1]benzothiepinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzo[b][1]benzothiepin-5-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1]benzothiepin-5-ylpiperazine-1-carboxylic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H22N2O2S/c1-2-25-21(24)23-13-11-22(12-14-23)18-15-16-7-3-5-9-19(16)26-20-10-6-4-8-17(18)20/h3-10,15H,2,11-14H2,1H3