(2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butyrate Formula: C12H13N2O4S2- MolecularWeight: 313.37262

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C12H14N2O4S2/c1-19-7-6-9(12(15)16)13-11-8-4-2-3-5-10(8)20(17,18)14-11/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m1/s1