(E)-but-2-enedioic acid; 4-phenyl-2-piperidin-3-yl-1,3-thiazole

Systemtic Name: (E)-but-2-enedioic acid; 4-phenyl-2-piperidin-3-yl-1,3-thiazole Openeye Name: fumaric acid; 4-phenyl-2-(3-piperidyl)thiazole CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-(3-piperidinyl)thiazole IUPAC Name: (E)-but-2-enedioic acid; 4-phenyl-2-piperidin-3-yl-1,3-thiazole Traditional Name: fumaric acid; 4-phenyl-2-(3-piperidyl)thiazole Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=NC(=CS2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(CNC1)C2=NC(=CS2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16N2S.C4H4O4/c1-2-5-11(6-3-1)13-10-17-14(16-13)12-7-4-8-15-9-12;5-3(6)1-2-4(7)8/h1-3,5-6,10,12,15H,4,7-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+