[(6-methyl-1,4-dihydropyridin-2-yl)-methylsulfanyl-methyl] ethanoate

Systemtic Name: [(6-methyl-1,4-dihydropyridin-2-yl)-methylsulfanyl-methyl] ethanoate Openeye Name: [(6-methyl-1,4-dihydropyridin-2-yl)-methylsulfanyl-methyl] acetate CAS Name: acetic acid [(6-methyl-1,4-dihydropyridin-2-yl)-(methylthio)methyl] ester IUPAC Name: [(6-methyl-1,4-dihydropyridin-2-yl)-methylsulfanylmethyl] acetate Traditional Name: acetic acid [(6-methyl-1,4-dihydropyridin-2-yl)-(methylthio)methyl] ester Formula: C10H15NO2S MolecularWeight: 213.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=C(N1)C(OC(=O)C)SC

Isomeric SMILES

CC1=CCC=C(N1)C(OC(=O)C)SC

InChI

InChI=1S/C10H15NO2S/c1-7-5-4-6-9(11-7)10(14-3)13-8(2)12/h5-6,10-11H,4H2,1-3H3