4-(pyridin-4-ylmethylsulfanyl)butan-2-yl ethanoate

Systemtic Name: 4-(pyridin-4-ylmethylsulfanyl)butan-2-yl ethanoate Openeye Name: [1-methyl-3-(4-pyridylmethylsulfanyl)propyl] acetate CAS Name: acetic acid 4-(pyridin-4-ylmethylthio)butan-2-yl ester IUPAC Name: 4-(pyridin-4-ylmethylsulfanyl)butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-(4-pyridylmethylthio)propyl] ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC1=CC=NC=C1)OC(=O)C

Isomeric SMILES

CC(CCSCC1=CC=NC=C1)OC(=O)C

InChI

InChI=1S/C12H17NO2S/c1-10(15-11(2)14)5-8-16-9-12-3-6-13-7-4-12/h3-4,6-7,10H,5,8-9H2,1-2H3