S-[(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-5-yl)methyl] ethanethioate

Systemtic Name: S-[(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-5-yl)methyl] ethanethioate Openeye Name: S-[(3-methyl-4,5-dihydrooxazol-3-ium-5-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(3-methyl-4,5-dihydrooxazol-3-ium-5-yl)methyl] ester IUPAC Name: S-[(3-methyl-4,5-dihydro-1,3-oxazol-3-ium-5-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(3-methyl-2-oxazolin-3-ium-5-yl)methyl] ester Formula: C7H12NO2S+ MolecularWeight: 174.24068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1C[N+](=CO1)C

Isomeric SMILES

CC(=O)SCC1C[N+](=CO1)C

InChI

InChI=1S/C7H12NO2S/c1-6(9)11-4-7-3-8(2)5-10-7/h5,7H,3-4H2,1-2H3/q+1