(E)-but-2-enedioic acid; 4-methyl-1,4-benzothiazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-1,4-benzothiazin-3-one Openeye Name: fumaric acid; 4-methyl-1,4-benzothiazin-3-one CAS Name: (E)-2-butenedioic acid; 4-methyl-1,4-benzothiazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-1,4-benzothiazin-3-one Traditional Name: fumaric acid; 4-methyl-1,4-benzothiazin-3-one Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=O)CSC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9NOS.C4H4O4/c1-10-7-4-2-3-5-8(7)12-6-9(10)11;5-3(6)1-2-4(7)8/h2-5H,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+