[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H16N2O3S2/c1-9(13(15)18)19-12(17)7-4-8-20-14-16-10-5-2-3-6-11(10)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,18)/t9-/m1/s1