(2S)-2-[(2-methoxyphenyl)sulfanylmethyl]pentanal

Systemtic Name: (2S)-2-[(2-methoxyphenyl)sulfanylmethyl]pentanal Openeye Name: (2S)-2-[(2-methoxyphenyl)sulfanylmethyl]pentanal CAS Name: (2S)-2-[[(2-methoxyphenyl)thio]methyl]pentanal IUPAC Name: (2S)-2-[(2-methoxyphenyl)sulfanylmethyl]pentanal Traditional Name: (2S)-2-[[(2-methoxyphenyl)thio]methyl]valeraldehyde Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CSC1=CC=CC=C1OC)C=O

Isomeric SMILES

CCC[C@H](CSC1=CC=CC=C1OC)C=O

InChI

InChI=1S/C13H18O2S/c1-3-6-11(9-14)10-16-13-8-5-4-7-12(13)15-2/h4-5,7-9,11H,3,6,10H2,1-2H3/t11-/m0/s1