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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(2-methylpropoxy)benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic 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] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12(2)9-24-15-6-4-5-14(7-15)19(23)25-10-17(22)16(8-20)18-21-13(3)11-26-18/h4-7,11-12,16H,9-10H2,1-3H3/t16-/m1/s1