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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(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-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-12(2)9-26-17-6-5-14(7-18(17)25-4)20(24)27-10-16(23)15(8-21)19-22-13(3)11-28-19/h5-7,11-12,15H,9-10H2,1-4H3/t15-/m1/s1