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

Systemtic Name: ethyl 4-(3-bromanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC3=C(C=CC(=C3)Br)SC4=CC=CC=C24

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC3=C(C=CC(=C3)Br)SC4=CC=CC=C24

InChI

InChI=1S/C21H23BrN2O2S/c1-2-26-21(25)24-11-9-23(10-12-24)18-14-15-13-16(22)7-8-19(15)27-20-6-4-3-5-17(18)20/h3-8,13,18H,2,9-12,14H2,1H3