(Z)-but-2-enedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine

Systemtic Name: (Z)-but-2-enedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Openeye Name: 1-(2-isopropylthiazol-4-yl)-N-methyl-methanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine IUPAC Name: (Z)-but-2-enedioic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Traditional Name: (2-isopropylthiazol-4-yl)methyl-methyl-amine; maleic acid Formula: C20H32N4O4S2 MolecularWeight: 456.62248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CNC.CC(C)C1=NC(=CS1)CNC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=CS1)CNC.CC(C)C1=NC(=CS1)CNC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/2C8H14N2S.C4H4O4/c2*1-6(2)8-10-7(4-9-3)5-11-8;5-3(6)1-2-4(7)8/h2*5-6,9H,4H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-