(E)-but-2-enedioic acid; 4H-indeno[1,2-d][1,3]thiazol-2-ylmethanamine

Systemtic Name: (E)-but-2-enedioic acid; 4H-indeno[1,2-d][1,3]thiazol-2-ylmethanamine Openeye Name: fumaric acid; 4H-indeno[1,2-d]thiazol-2-ylmethanamine CAS Name: (E)-2-butenedioic acid; 4H-indeno[1,2-d]thiazol-2-ylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 4H-indeno[1,2-d][1,3]thiazol-2-ylmethanamine Traditional Name: fumaric acid; 4H-indeno[1,2-d]thiazol-2-ylmethylamine Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1SC(=N3)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=C1SC(=N3)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H10N2S.C4H4O4/c12-6-10-13-11-8-4-2-1-3-7(8)5-9(11)14-10;5-3(6)1-2-4(7)8/h1-4H,5-6,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+