(E)-but-2-enedioic acid; 5-prop-2-enylpyrido[3,4-b][1,4]benzothiazine

Systemtic Name: (E)-but-2-enedioic acid; 5-prop-2-enylpyrido[3,4-b][1,4]benzothiazine Openeye Name: 5-allylpyrido[3,4-b][1,4]benzothiazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-prop-2-enylpyrido[3,4-b][1,4]benzothiazine IUPAC Name: (E)-but-2-enedioic acid; 5-prop-2-enylpyrido[3,4-b][1,4]benzothiazine Traditional Name: 5-allylpyrido[3,4-b][1,4]benzothiazine; fumaric acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=NC=C2)SC3=CC=CC=C31.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCN1C2=C(C=NC=C2)SC3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H12N2S.C4H4O4/c1-2-9-16-11-5-3-4-6-13(11)17-14-10-15-8-7-12(14)16;5-3(6)1-2-4(7)8/h2-8,10H,1,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+