[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-12-11-27-19(21-12)16(9-20)17(22)10-26-18(23)5-4-13-6-14(24-2)8-15(7-13)25-3/h6-8,11,16H,4-5,10H2,1-3H3/t16-/m0/s1