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

Systemtic Name: cyanomethyl (2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl (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)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (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)butyric acid cyanomethyl ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CSCC[C@H](C(=O)OCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H15N3O4S2/c1-22-9-6-11(14(18)21-8-7-15)16-13-10-4-2-3-5-12(10)23(19,20)17-13/h2-5,11H,6,8-9H2,1H3,(H,16,17)/t11-/m1/s1