tert-butyl (4S,6R)-6-methyl-2-methylsulfanyl-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylate

Systemtic Name: tert-butyl (4S,6R)-6-methyl-2-methylsulfanyl-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylate Openeye Name: tert-butyl (4S,6R)-6-methyl-2-methylsulfanyl-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylate CAS Name: (4S,6R)-6-methyl-2-(methylthio)-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,6R)-6-methyl-2-methylsulfanyl-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylate Traditional Name: (4S,6R)-6-methyl-2-(methylthio)-1,3-diazabicyclo[4.1.0]hept-2-ene-4-carboxylic acid tert-butyl ester Formula: C12H20N2O2S MolecularWeight: 256.3644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(N=C(N1C2)SC)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]12C[C@H](N=C(N1C2)SC)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H20N2O2S/c1-11(2,3)16-9(15)8-6-12(4)7-14(12)10(13-8)17-5/h8H,6-7H2,1-5H3/t8-,12+,14?/m0/s1