(5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) thiocyanate

Systemtic Name: (5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) thiocyanate Openeye Name: (5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) thiocyanate CAS Name: thiocyanic acid (5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) ester IUPAC Name: (5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) thiocyanate Traditional Name: thiocyanic acid (5,7-dimethyl-3,4-dihydro-1,2-benzoxathiin-6-yl) ester Formula: C11H11NOS2 MolecularWeight: 237.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSO2)C(=C1SC#N)C

Isomeric SMILES

CC1=CC2=C(CCSO2)C(=C1SC#N)C

InChI

InChI=1S/C11H11NOS2/c1-7-5-10-9(3-4-15-13-10)8(2)11(7)14-6-12/h5H,3-4H2,1-2H3