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

Systemtic Name: (Z)-but-2-enedioic acid; 3-chloranyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 3-chloro-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-chloro-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: (Z)-but-2-enedioic acid; 3-chloro-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 3-chloro-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin-9-ol; maleic acid Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19ClN2OS.C4H4O4/c19-13-2-4-17-15(10-13)16(21-7-5-20-6-8-21)9-12-1-3-14(22)11-18(12)23-17;5-3(6)1-2-4(7)8/h1-4,10-11,16,20,22H,5-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-