2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethyl decanoate; (Z)-but-2-enedioic acid

Systemtic Name: 2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethyl decanoate; (Z)-but-2-enedioic acid Openeye Name: 2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethyl decanoate; maleic acid CAS Name: (Z)-2-butenedioic acid; decanoic acid 2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazin-1-yl]ethyl decanoate; (Z)-but-2-enedioic acid Traditional Name: capric acid 2-[4-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperazino]ethyl ester; maleic acid Formula: C41H54N2O10S MolecularWeight: 766.93986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3CSC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SCC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C33H46N2O2S.2C4H4O4/c1-2-3-4-5-6-7-8-19-33(36)37-26-25-35-23-21-34(22-24-35)20-13-17-30-29-15-10-9-14-28(29)27-38-32-18-12-11-16-31(30)32;2*5-3(6)1-2-4(7)8/h9-12,14-18H,2-8,13,19-27H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b30-17-;2*2-1-