tert-butyl (2S)-3-azanyl-2-(2-methylsulfanylethyl)-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-3-azanyl-2-(2-methylsulfanylethyl)-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-3-amino-2-(2-methylsulfanylethyl)-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-3-amino-2-[2-(methylthio)ethyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-amino-2-(2-methylsulfanylethyl)-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-3-amino-5-keto-2-[2-(methylthio)ethyl]-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C12H20N2O3S MolecularWeight: 272.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=CC1=O)N)CCSC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C(=CC1=O)N)CCSC

InChI

InChI=1S/C12H20N2O3S/c1-12(2,3)17-11(16)14-9(5-6-18-4)8(13)7-10(14)15/h7,9H,5-6,13H2,1-4H3/t9-/m0/s1