(E)-but-2-enedioic acid; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol Openeye Name: fumaric acid; 9-(2-thienylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol CAS Name: (E)-2-butenedioic acid; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol IUPAC Name: (E)-but-2-enedioic acid; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol Traditional Name: fumaric acid; 9-(2-thenylamino)-1,2,3,4-tetrahydroacridin-1-ol Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CS4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CS4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2OS.C4H4O4/c21-16-9-3-8-15-17(16)18(19-11-12-5-4-10-22-12)13-6-1-2-7-14(13)20-15;5-3(6)1-2-4(7)8/h1-2,4-7,10,16,21H,3,8-9,11H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+