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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-methylsulfanylbenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)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] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-10-9-23-15(18-10)13(7-17)14(19)8-21-16(20)11-3-5-12(22-2)6-4-11/h3-6,9,13H,8H2,1-2H3/t13-/m1/s1