ethyl 4-(3-chloranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-chloro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC3=C(C=CC(=C3)C)SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC3=C(C=CC(=C3)C)SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-3-27-22(26)25-10-8-24(9-11-25)19-13-16-12-15(2)4-6-20(16)28-21-7-5-17(23)14-18(19)21/h4-7,12,14,19H,3,8-11,13H2,1-2H3