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

Systemtic Name: methyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H16N2O4S2/c1-19-13(16)10(7-8-20-2)14-12-9-5-3-4-6-11(9)21(17,18)15-12/h3-6,10H,7-8H2,1-2H3,(H,14,15)/t10-/m0/s1