2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)propionic acid Formula: C15H15NO5S2 MolecularWeight: 353.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

InChI

InChI=1S/C15H15NO5S2/c1-9(15(17)18)16-23(19,20)10-6-7-14-12(8-10)21-11-4-2-3-5-13(11)22-14/h2-9,12,14,16H,1H3,(H,17,18)