1-[3-(2-azanylethylsulfanylmethyl)-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-(2-azanylethylsulfanylmethyl)-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-(2-aminoethylsulfanylmethyl)-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[(2-aminoethylthio)methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-(2-aminoethylsulfanylmethyl)-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(2-aminoethylthio)methyl]-4-ethoxy-phenyl]ethanone Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSCCN

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCCN

InChI

InChI=1S/C13H19NO2S/c1-3-16-13-5-4-11(10(2)15)8-12(13)9-17-7-6-14/h4-5,8H,3,6-7,9,14H2,1-2H3