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

Systemtic Name: methyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyric acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-8(2)11(13(16)19-3)14-12-9-6-4-5-7-10(9)20(17,18)15-12/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1