(Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol

Systemtic Name: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol Openeye Name: maleic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol CAS Name: (Z)-2-butenedioic acid; 5-(4-methyl-1-piperazinyl)-6H-benzo[b][1]benzothiepin-5-ol IUPAC Name: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol Traditional Name: maleic acid; 5-(4-methylpiperazino)-6H-benzo[b][1]benzothiepin-5-ol Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2(CC3=CC=CC=C3SC4=CC=CC=C42)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2(CC3=CC=CC=C3SC4=CC=CC=C42)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2OS.C4H4O4/c1-20-10-12-21(13-11-20)19(22)14-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9,22H,10-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-