(E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine

Systemtic Name: (E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine Openeye Name: 4-(5-fluorobenzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(5-fluoro-1-benzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine IUPAC Name: (E)-but-2-enedioic acid; 4-(5-fluoro-1-benzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine Traditional Name: 4-(5-fluorobenzothiophen-7-yl)-3,3-dimethyl-2,6-dihydro-1H-pyridine; fumaric acid Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCC=C1C2=C3C(=CC(=C2)F)C=CS3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CNCC=C1C2=C3C(=CC(=C2)F)C=CS3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16FNS.C4H4O4/c1-15(2)9-17-5-3-13(15)12-8-11(16)7-10-4-6-18-14(10)12;5-3(6)1-2-4(7)8/h3-4,6-8,17H,5,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+