(E)-but-2-enedioic acid; 2-methoxy-2-pyridin-2-yl-ethanethioamide

Systemtic Name: (E)-but-2-enedioic acid; 2-methoxy-2-pyridin-2-yl-ethanethioamide Openeye Name: fumaric acid; 2-methoxy-2-(2-pyridyl)thioacetamide CAS Name: (E)-2-butenedioic acid; 2-methoxy-2-(2-pyridinyl)ethanethioamide IUPAC Name: (E)-but-2-enedioic acid; 2-methoxy-2-pyridin-2-ylethanethioamide Traditional Name: fumaric acid; 2-methoxy-2-(2-pyridyl)thioacetamide Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=N1)C(=S)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC(C1=CC=CC=N1)C(=S)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H10N2OS.C4H4O4/c1-11-7(8(9)12)6-4-2-3-5-10-6;5-3(6)1-2-4(7)8/h2-5,7H,1H3,(H2,9,12);1-2H,(H,5,6)(H,7,8)/b;2-1+