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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S2/c1-8(12(14)17)18-11(16)6-7-19-13-15-9-4-2-3-5-10(9)20-13/h2-5,8H,6-7H2,1H3,(H2,14,17)/t8-/m1/s1