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

Systemtic Name: 2-oxidanylidenepropyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate Openeye Name: acetonyl (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 2-oxopropyl ester IUPAC Name: 2-oxopropyl (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 acetonyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S/c1-9(2)13(15(19)22-8-10(3)18)16-14-11-6-4-5-7-12(11)23(20,21)17-14/h4-7,9,13H,8H2,1-3H3,(H,16,17)/t13-/m0/s1