3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl dodecanoate

Systemtic Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl dodecanoate Openeye Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl dodecanoate CAS Name: dodecanoic acid 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl dodecanoate Traditional Name: lauric acid 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propyl ester Formula: C35H52N2O2S MolecularWeight: 564.86458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)CC

InChI

InChI=1S/C35H52N2O2S/c1-3-5-6-7-8-9-10-11-12-18-35(38)39-26-15-21-36-22-24-37(25-23-36)32-28-30-16-13-14-17-33(30)40-34-20-19-29(4-2)27-31(32)34/h13-14,16-17,19-20,27,32H,3-12,15,18,21-26,28H2,1-2H3