tert-butyl (4S,5R)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (4S,5R)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (4S,5R)-2-isobutyl-4-pyrazin-2-yl-5-thiazol-2-yl-pyrrolidine-2-carboxylate CAS Name: (4S,5R)-2-(2-methylpropyl)-4-(2-pyrazinyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5R)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate Traditional Name: (4S,5R)-2-isobutyl-4-pyrazin-2-yl-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H28N4O2S MolecularWeight: 388.52692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1)C2=NC=CS2)C3=NC=CN=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1(C[C@@H]([C@@H](N1)C2=NC=CS2)C3=NC=CN=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N4O2S/c1-13(2)10-20(18(25)26-19(3,4)5)11-14(15-12-21-6-7-22-15)16(24-20)17-23-8-9-27-17/h6-9,12-14,16,24H,10-11H2,1-5H3/t14-,16-,20?/m1/s1