[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C18H18N2O4S/c1-11-4-5-12(2)16(6-11)23-9-17(22)24-8-15(21)14(7-19)18-20-13(3)10-25-18/h4-6,10,14H,8-9H2,1-3H3/t14-/m0/s1