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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)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] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H20N2O5S/c1-12-11-27-19(21-12)14(9-20)15(22)10-26-18(23)7-5-13-4-6-16(24-2)17(8-13)25-3/h4,6,8,11,14H,5,7,10H2,1-3H3/t14-/m1/s1