[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic 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] 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C19H18N2O5S/c1-11-10-27-19(21-11)15(8-20)16(23)9-26-18(24)7-14-6-13(12(2)22)4-5-17(14)25-3/h4-6,10,15H,7,9H2,1-3H3/t15-/m1/s1