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(Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

(Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

Systemtic Name:(Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
Openeye Name:maleic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
CAS Name:(Z)-2-butenedioic acid; 4-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzothiepin-5-one
IUPAC Name:(Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
Traditional Name:maleic acid; 4-(4-methylpiperazino)-3,4-dihydro-2H-1-benzothiepin-5-one
Formula: C23H28N2O9S
MolecularWeight: 508.54142
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCSC3=CC=CC=C3C2=O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CN1CCN(CC1)C2C(=O)C3=CC=CC=C3SCC2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O


InChI

InChI=1S/C15H20N2OS.2C4H4O4/c1-16-7-9-17(10-8-16)13-6-11-19-14-5-3-2-4-12(14)15(13)18;2*5-3(6)1-2-4(7)8/h2-5,13H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-


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