(Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzothiophen-4-one

Systemtic Name: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: maleic acid; 5-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-benzothiophen-4-one CAS Name: (Z)-2-butenedioic acid; 5-(4-methyl-1-piperazinyl)-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: maleic acid; 5-(4-methylpiperazino)-6,7-dihydro-5H-benzothiophen-4-one Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC3=C(C2=O)C=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CCC3=C(C2=O)C=CS3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18N2OS.C4H4O4/c1-14-5-7-15(8-6-14)11-2-3-12-10(13(11)16)4-9-17-12;5-3(6)1-2-4(7)8/h4,9,11H,2-3,5-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-