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

Systemtic Name: (Z)-but-2-enedioic acid; 9-fluoranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol Openeye Name: 9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; 9-fluoro-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol IUPAC Name: (Z)-but-2-enedioic acid; 9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol Traditional Name: 9-fluoro-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol; maleic acid Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21FN2OS.C4H4O4/c1-21-6-8-22(9-7-21)17-10-13-2-3-14(20)11-19(13)24-18-5-4-15(23)12-16(17)18;5-3(6)1-2-4(7)8/h2-5,11-12,17,23H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-