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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2-chloro-5-methyl-phenoxy)acetate CAS Name: 2-(2-chloro-5-methylphenoxy)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-chloro-5-methylphenoxy)acetate Traditional Name: 2-(2-chloro-5-methyl-phenoxy)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4S/c1-10-3-4-13(18)15(5-10)23-8-16(22)24-7-14(21)12(6-19)17-20-11(2)9-25-17/h3-5,9,12H,7-8H2,1-2H3/t12-/m0/s1