(2-oxidanylidene-3-pentyl-thiochromen-7-yl) sulfamate

Systemtic Name: (2-oxidanylidene-3-pentyl-thiochromen-7-yl) sulfamate Openeye Name: (2-oxo-3-pentyl-thiochromen-7-yl) sulfamate CAS Name: sulfamic acid (2-oxo-3-pentyl-1-benzothiopyran-7-yl) ester IUPAC Name: (2-oxo-3-pentylthiochromen-7-yl) sulfamate Traditional Name: sulfamic acid (3-amyl-2-keto-thiochromen-7-yl) ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C(C=C2)OS(=O)(=O)N)SC1=O

Isomeric SMILES

CCCCCC1=CC2=C(C=C(C=C2)OS(=O)(=O)N)SC1=O

InChI

InChI=1S/C14H17NO4S2/c1-2-3-4-5-11-8-10-6-7-12(19-21(15,17)18)9-13(10)20-14(11)16/h6-9H,2-5H2,1H3,(H2,15,17,18)