ethyl 2-[(4-methylphenyl)methylsulfanyl]cycloheptane-1-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]cycloheptane-1-carboxylate Openeye Name: ethyl 2-(p-tolylmethylsulfanyl)cycloheptanecarboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-1-cycloheptanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]cycloheptane-1-carboxylate Traditional Name: 2-[(4-methylbenzyl)thio]cycloheptanecarboxylic acid ethyl ester Formula: C18H26O2S MolecularWeight: 306.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCCC1SCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCCCCC1SCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H26O2S/c1-3-20-18(19)16-7-5-4-6-8-17(16)21-13-15-11-9-14(2)10-12-15/h9-12,16-17H,3-8,13H2,1-2H3