(4-ethyl-3-methyl-2-oxidanylidene-thiochromen-7-yl) sulfamate

Systemtic Name: (4-ethyl-3-methyl-2-oxidanylidene-thiochromen-7-yl) sulfamate Openeye Name: (4-ethyl-3-methyl-2-oxo-thiochromen-7-yl) sulfamate CAS Name: sulfamic acid (4-ethyl-3-methyl-2-oxo-1-benzothiopyran-7-yl) ester IUPAC Name: (4-ethyl-3-methyl-2-oxothiochromen-7-yl) sulfamate Traditional Name: sulfamic acid (4-ethyl-2-keto-3-methyl-thiochromen-7-yl) ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)SC2=C1C=CC(=C2)OS(=O)(=O)N)C

Isomeric SMILES

CCC1=C(C(=O)SC2=C1C=CC(=C2)OS(=O)(=O)N)C

InChI

InChI=1S/C12H13NO4S2/c1-3-9-7(2)12(14)18-11-6-8(4-5-10(9)11)17-19(13,15)16/h4-6H,3H2,1-2H3,(H2,13,15,16)