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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=NC2=CC=CC=C2S1)C(=O)[O-]

Isomeric SMILES

CC(=O)S[C@H](CC1=NC2=CC=CC=C2S1)C(=O)[O-]

InChI

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