2-(2-methoxyphenyl)-2-(3-sulfanylpyrrolidin-1-yl)ethanal

Systemtic Name: 2-(2-methoxyphenyl)-2-(3-sulfanylpyrrolidin-1-yl)ethanal Openeye Name: 2-(2-methoxyphenyl)-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde CAS Name: 2-(3-mercapto-1-pyrrolidinyl)-2-(2-methoxyphenyl)acetaldehyde IUPAC Name: 2-(2-methoxyphenyl)-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde Traditional Name: 2-(3-mercaptopyrrolidino)-2-(2-methoxyphenyl)acetaldehyde Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C=O)N2CCC(C2)S

Isomeric SMILES

COC1=CC=CC=C1C(C=O)N2CCC(C2)S

InChI

InChI=1S/C13H17NO2S/c1-16-13-5-3-2-4-11(13)12(9-15)14-7-6-10(17)8-14/h2-5,9-10,12,17H,6-8H2,1H3