4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridin-4-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridin-4-ium Openeye Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydrooxazolo[4,5-b]pyridin-4-ium CAS Name: 4-methylbenzenesulfonate; 4-methyl-2-(methylthio)-2,3-dihydrooxazolo[4,5-b]pyridin-4-ium IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-2-methylsulfanyl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyridin-4-ium Traditional Name: 4-methyl-2-(methylthio)-2,3-dihydrooxazolo[4,5-b]pyridin-4-ium tosylate Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1NC(O2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1NC(O2)SC

InChI

InChI=1S/C8H10N2OS.C7H8O3S/c1-10-5-3-4-6-7(10)9-8(11-6)12-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8H,1-2H3;2-5H,1H3,(H,8,9,10)