(3R)-3-(1,3-benzothiazol-2-yl)-3-ethanoylsulfanyl-propanoate

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-yl)-3-ethanoylsulfanyl-propanoate Openeye Name: (3R)-3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate CAS Name: (3R)-3-(acetylthio)-3-(1,3-benzothiazol-2-yl)propanoate IUPAC Name: (3R)-3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: (3R)-3-(acetylthio)-3-(1,3-benzothiazol-2-yl)propionate Formula: C12H10NO3S2- MolecularWeight: 280.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)[O-])C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)S[C@H](CC(=O)[O-])C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H11NO3S2/c1-7(14)17-10(6-11(15)16)12-13-8-4-2-3-5-9(8)18-12/h2-5,10H,6H2,1H3,(H,15,16)/p-1/t10-/m1/s1