tert-butyl 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-oxo-oxazolidin-3-yl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-oxo-3-oxazolidinyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[(5R)-5-(isothiocyanatomethyl)-2-keto-oxazolidin-3-yl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N5O4S MolecularWeight: 419.4979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)N3CC(OC3=O)CN=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)N3C[C@@H](OC3=O)CN=C=S

InChI

InChI=1S/C19H25N5O4S/c1-19(2,3)28-17(25)23-8-6-22(7-9-23)16-5-4-14(10-21-16)24-12-15(11-20-13-29)27-18(24)26/h4-5,10,15H,6-9,11-12H2,1-3H3/t15-/m0/s1