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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2O3S2/c1-7(11(13)16)17-10(15)6-18-12-14-8-4-2-3-5-9(8)19-12/h2-5,7H,6H2,1H3,(H2,13,16)/t7-/m1/s1