methyl 4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoate Openeye Name: methyl 4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoate CAS Name: 4-chloro-3-[(ethylthio)methyl]-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoate Traditional Name: 4-chloro-3-[(ethylthio)methyl]-2-(methylthio)benzoic acid methyl ester Formula: C12H15ClO2S2 MolecularWeight: 290.8293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CC(=C1SC)C(=O)OC)Cl

Isomeric SMILES

CCSCC1=C(C=CC(=C1SC)C(=O)OC)Cl

InChI

InChI=1S/C12H15ClO2S2/c1-4-17-7-9-10(13)6-5-8(11(9)16-3)12(14)15-2/h5-6H,4,7H2,1-3H3