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

Systemtic Name: ethyl 4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-3-26-22(25)24-12-10-23(11-13-24)19-15-17-14-16(2)8-9-20(17)27-21-7-5-4-6-18(19)21/h4-9,14,19H,3,10-13,15H2,1-2H3