(E)-but-2-enedioic acid; 9-(1-methylpiperidin-4-ylidene)thioxanthene-2-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 9-(1-methylpiperidin-4-ylidene)thioxanthene-2-carbonitrile Openeye Name: fumaric acid; 9-(1-methyl-4-piperidylidene)thioxanthene-2-carbonitrile CAS Name: (E)-2-butenedioic acid; 9-(1-methyl-4-piperidinylidene)-2-thioxanthenecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 9-(1-methylpiperidin-4-ylidene)thioxanthene-2-carbonitrile Traditional Name: fumaric acid; 9-(1-methyl-4-piperidylidene)thioxanthene-2-carbonitrile Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H18N2S.C4H4O4/c1-22-10-8-15(9-11-22)20-16-4-2-3-5-18(16)23-19-7-6-14(13-21)12-17(19)20;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+