(2-methoxy-2-oxidanylidene-ethyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (2-keto-2-methoxy-ethyl) ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)COC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H14N2O6S/c1-20-12(17)8-21-11(16)6-7-14-13-9-4-2-3-5-10(9)22(18,19)15-13/h2-5H,6-8H2,1H3,(H,14,15)