1-[[1-ethylsulfanyl-3-(4-methylphenoxy)propan-2-yl]oxymethyl]azepane

Systemtic Name: 1-[[1-ethylsulfanyl-3-(4-methylphenoxy)propan-2-yl]oxymethyl]azepane Openeye Name: 1-[[1-(ethylsulfanylmethyl)-2-(4-methylphenoxy)ethoxy]methyl]azepane CAS Name: 1-[[1-(ethylthio)-3-(4-methylphenoxy)propan-2-yl]oxymethyl]azepane IUPAC Name: 1-[[1-ethylsulfanyl-3-(4-methylphenoxy)propan-2-yl]oxymethyl]azepane Traditional Name: 1-[[1-[(ethylthio)methyl]-2-(4-methylphenoxy)ethoxy]methyl]azepane Formula: C19H31NO2S MolecularWeight: 337.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC(COC1=CC=C(C=C1)C)OCN2CCCCCC2

Isomeric SMILES

CCSCC(COC1=CC=C(C=C1)C)OCN2CCCCCC2

InChI

InChI=1S/C19H31NO2S/c1-3-23-15-19(14-21-18-10-8-17(2)9-11-18)22-16-20-12-6-4-5-7-13-20/h8-11,19H,3-7,12-16H2,1-2H3