[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic 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] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15N3O4S/c1-11-10-26-17(21-11)15(8-20)16(22)9-24-18(23)12(2)25-14-5-3-13(7-19)4-6-14/h3-6,10,12,15H,9H2,1-2H3/t12-,15+/m0/s1