(E)-but-2-enedioic acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide Openeye Name: fumaric acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)acetamidine CAS Name: (E)-2-butenedioic acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide IUPAC Name: (E)-but-2-enedioic acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide Traditional Name: fumaric acid; 2-(2-phenyl-1,3-benzothiazol-6-yl)acetamidine Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H13N3S.C4H4O4/c16-14(17)9-10-6-7-12-13(8-10)19-15(18-12)11-4-2-1-3-5-11;5-3(6)1-2-4(7)8/h1-8H,9H2,(H3,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+