(E)-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E)-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E)-3,5-dihydroxy-6-methyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid CAS Name: (E)-3,5-dihydroxy-6-methyl-7-(2-methyl-4-thiazolyl)-6-heptenoic acid IUPAC Name: (E)-3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid Traditional Name: (E)-3,5-dihydroxy-6-methyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=C(C)C(CC(CC(=O)O)O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/C(CC(CC(=O)O)O)O

InChI

InChI=1S/C12H17NO4S/c1-7(3-9-6-18-8(2)13-9)11(15)4-10(14)5-12(16)17/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,16,17)/b7-3+