[(E,3R)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-1-en-5-yn-3-yl] ethanoate

Systemtic Name: [(E,3R)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-1-en-5-yn-3-yl] ethanoate Openeye Name: [(1R)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-ynyl] acetate CAS Name: acetic acid [(E,3R)-2-methyl-1-(2-methyl-4-thiazolyl)hex-1-en-5-yn-3-yl] ester IUPAC Name: [(E,3R)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-1-en-5-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-ynyl] ester Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/[C@@H](CC#C)OC(=O)C

InChI

InChI=1S/C13H15NO2S/c1-5-6-13(16-11(4)15)9(2)7-12-8-17-10(3)14-12/h1,7-8,13H,6H2,2-4H3/b9-7+/t13-/m1/s1