(Z)-but-2-enedioic acid; 1-[9-fluoranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 1-[9-fluoranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Openeye Name: 1-[9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-[9-fluoro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone IUPAC Name: (Z)-but-2-enedioic acid; 1-[9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Traditional Name: 1-[9-fluoro-5-[4-(2-hydroxyethyl)piperazino]-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone; maleic acid Formula: C30H33FN2O10S MolecularWeight: 632.653823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(SC3=C(C=CC(=C3)F)CC2N4CCN(CC4)CCO)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H25FN2O2S.2C4H4O4/c1-15(27)16-3-5-21-19(12-16)20(25-8-6-24(7-9-25)10-11-26)13-17-2-4-18(23)14-22(17)28-21;2*5-3(6)1-2-4(7)8/h2-5,12,14,20,26H,6-11,13H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-