S-pyridin-2-yl 5,5-dimethyl-1,3-dioxane-2-carbothioate

Systemtic Name: S-pyridin-2-yl 5,5-dimethyl-1,3-dioxane-2-carbothioate Openeye Name: S-(2-pyridyl) 5,5-dimethyl-1,3-dioxane-2-carbothioate CAS Name: 5,5-dimethyl-1,3-dioxane-2-carbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 5,5-dimethyl-1,3-dioxane-2-carbothioate Traditional Name: 5,5-dimethyl-1,3-dioxane-2-carbothioic acid S-(2-pyridyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C(=O)SC2=CC=CC=N2)C

Isomeric SMILES

CC1(COC(OC1)C(=O)SC2=CC=CC=N2)C

InChI

InChI=1S/C12H15NO3S/c1-12(2)7-15-11(16-8-12)10(14)17-9-5-3-4-6-13-9/h3-6,11H,7-8H2,1-2H3