(E)-4-[1-(dimethylamino)propan-2-yloxy]-4-oxidanylidene-but-2-enoic acid; 1,3-thiazole-2-carboxamide

Systemtic Name: (E)-4-[1-(dimethylamino)propan-2-yloxy]-4-oxidanylidene-but-2-enoic acid; 1,3-thiazole-2-carboxamide Openeye Name: (E)-4-[2-(dimethylamino)-1-methyl-ethoxy]-4-oxo-but-2-enoic acid; thiazole-2-carboxamide CAS Name: (E)-4-[1-(dimethylamino)propan-2-yloxy]-4-oxo-2-butenoic acid; 2-thiazolecarboxamide IUPAC Name: (E)-4-[1-(dimethylamino)propan-2-yloxy]-4-oxobut-2-enoic acid; 1,3-thiazole-2-carboxamide Traditional Name: (E)-4-[2-(dimethylamino)-1-methyl-ethoxy]-4-keto-but-2-enoic acid; thiazole-2-carboxamide Formula: C13H19N3O5S MolecularWeight: 329.37206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)C=CC(=O)O.C1=CSC(=N1)C(=O)N

Isomeric SMILES

CC(CN(C)C)OC(=O)/C=C/C(=O)O.C1=CSC(=N1)C(=O)N

InChI

InChI=1S/C9H15NO4.C4H4N2OS/c1-7(6-10(2)3)14-9(13)5-4-8(11)12;5-3(7)4-6-1-2-8-4/h4-5,7H,6H2,1-3H3,(H,11,12);1-2H,(H2,5,7)/b5-4+;