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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] pyrazine-2-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C13H10N4O3S MolecularWeight: 302.3085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3S/c1-8-7-21-12(17-8)9(4-14)11(18)6-20-13(19)10-5-15-2-3-16-10/h2-3,5,7,9H,6H2,1H3/t9-/m1/s1