methyl (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methyl-pyrrolidine-1-carboximidothioate

Systemtic Name: methyl (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methyl-pyrrolidine-1-carboximidothioate Openeye Name: methyl (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-pyrrolidine-1-carboximidothioate CAS Name: (2R)-2-[5-(3-cyanophenyl)-3-isoxazolyl]-N-methyl-1-pyrrolidinecarboximidothioic acid methyl ester IUPAC Name: methyl (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methylpyrrolidine-1-carboximidothioate Traditional Name: (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-pyrrolidine-1-carboximidothioic acid methyl ester Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(N1CCCC1C2=NOC(=C2)C3=CC=CC(=C3)C#N)SC

Isomeric SMILES

CN=C(N1CCC[C@@H]1C2=NOC(=C2)C3=CC=CC(=C3)C#N)SC

InChI

InChI=1S/C17H18N4OS/c1-19-17(23-2)21-8-4-7-15(21)14-10-16(22-20-14)13-6-3-5-12(9-13)11-18/h3,5-6,9-10,15H,4,7-8H2,1-2H3/t15-/m1/s1