[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H16N2O5S/c1-11-10-26-18(20-11)15(7-19)16(22)8-25-17(23)9-24-14-5-3-13(4-6-14)12(2)21/h3-6,10,15H,8-9H2,1-2H3/t15-/m1/s1