6-[3-(methylamino)-2-oxidanyl-propoxy]-1,3-benzoxathiol-2-one

Systemtic Name: 6-[3-(methylamino)-2-oxidanyl-propoxy]-1,3-benzoxathiol-2-one Openeye Name: 6-[2-hydroxy-3-(methylamino)propoxy]-1,3-benzoxathiol-2-one CAS Name: 6-[2-hydroxy-3-(methylamino)propoxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[2-hydroxy-3-(methylamino)propoxy]-1,3-benzoxathiol-2-one Traditional Name: 6-[2-hydroxy-3-(methylamino)propoxy]-1,3-benzoxathiol-2-one Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(COC1=CC2=C(C=C1)SC(=O)O2)O

Isomeric SMILES

CNCC(COC1=CC2=C(C=C1)SC(=O)O2)O

InChI

InChI=1S/C11H13NO4S/c1-12-5-7(13)6-15-8-2-3-10-9(4-8)16-11(14)17-10/h2-4,7,12-13H,5-6H2,1H3