2-[(2-oxidanylidene-1,3-benzoxathiol-5-yl)oxycarbonylamino]ethyl propanoate

Systemtic Name: 2-[(2-oxidanylidene-1,3-benzoxathiol-5-yl)oxycarbonylamino]ethyl propanoate Openeye Name: 2-[(2-oxo-1,3-benzoxathiol-5-yl)oxycarbonylamino]ethyl propanoate CAS Name: propanoic acid 2-[[oxo-[(2-oxo-1,3-benzoxathiol-5-yl)oxy]methyl]amino]ethyl ester IUPAC Name: 2-[(2-oxo-1,3-benzoxathiol-5-yl)oxycarbonylamino]ethyl propanoate Traditional Name: propionic acid 2-[(2-keto-1,3-benzoxathiol-5-yl)oxycarbonylamino]ethyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC(=O)OC1=CC2=C(C=C1)OC(=O)S2

Isomeric SMILES

CCC(=O)OCCNC(=O)OC1=CC2=C(C=C1)OC(=O)S2

InChI

InChI=1S/C13H13NO6S/c1-2-11(15)18-6-5-14-12(16)19-8-3-4-9-10(7-8)21-13(17)20-9/h3-4,7H,2,5-6H2,1H3,(H,14,16)