3-(4-thieno[2,3-b][1]benzothiepin-4-ylpiperazin-1-yl)propyl octanoate

Systemtic Name: 3-(4-thieno[2,3-b][1]benzothiepin-4-ylpiperazin-1-yl)propyl octanoate Openeye Name: 3-(4-thieno[2,3-b][1]benzothiepin-4-ylpiperazin-1-yl)propyl octanoate CAS Name: octanoic acid 3-[4-(4-thieno[2,3-b][1]benzothiepinyl)-1-piperazinyl]propyl ester IUPAC Name: 3-(4-thieno[2,3-b][1]benzothiepin-4-ylpiperazin-1-yl)propyl octanoate Traditional Name: caprylic acid 3-(4-thieno[2,3-b][1]benzothiepin-4-ylpiperazino)propyl ester Formula: C27H36N2O2S2 MolecularWeight: 484.71694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CS4

Isomeric SMILES

CCCCCCCC(=O)OCCCN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CS4

InChI

InChI=1S/C27H36N2O2S2/c1-2-3-4-5-6-12-26(30)31-19-9-14-28-15-17-29(18-16-28)24-21-22-10-7-8-11-25(22)33-27-23(24)13-20-32-27/h7-8,10-11,13,20-21H,2-6,9,12,14-19H2,1H3