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

Systemtic Name: (Z)-but-2-enedioic acid; [5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl ethanoate Openeye Name: maleic acid; [5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl acetate CAS Name: acetic acid [5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl ester; (Z)-2-butenedioic acid IUPAC Name: (Z)-but-2-enedioic acid; [5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl acetate Traditional Name: acetic acid [5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl ester; maleic acid Formula: C30H34N2O10S MolecularWeight: 614.66336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OCC1=CC2=C(SC3=CC=CC=C3CC2N4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26N2O2S.2C4H4O4/c1-16(25)26-15-17-7-8-22-19(13-17)20(24-11-9-23(2)10-12-24)14-18-5-3-4-6-21(18)27-22;2*5-3(6)1-2-4(7)8/h3-8,13,20H,9-12,14-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-