(2R)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-4-(methylthio)butanoate IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-4-(methylthio)butyrate Formula: C12H13N2O2S2- MolecularWeight: 281.37382

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H14N2O2S2/c1-17-7-6-9(11(15)16)14-12-13-8-4-2-3-5-10(8)18-12/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m1/s1