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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-methoxybenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H14N2O4S MolecularWeight: 330.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H14N2O4S/c1-10-9-23-15(18-10)12(7-17)13(19)8-22-16(20)11-5-3-4-6-14(11)21-2/h3-6,9,12H,8H2,1-2H3/t12-/m1/s1