methyl 2-chloranyl-4-(2,2-dimethoxyethylsulfanyl)benzoate

Systemtic Name: methyl 2-chloranyl-4-(2,2-dimethoxyethylsulfanyl)benzoate Openeye Name: methyl 2-chloro-4-(2,2-dimethoxyethylsulfanyl)benzoate CAS Name: 2-chloro-4-(2,2-dimethoxyethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-(2,2-dimethoxyethylsulfanyl)benzoate Traditional Name: 2-chloro-4-(2,2-dimethoxyethylthio)benzoic acid methyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CSC1=CC(=C(C=C1)C(=O)OC)Cl)OC

Isomeric SMILES

COC(CSC1=CC(=C(C=C1)C(=O)OC)Cl)OC

InChI

InChI=1S/C12H15ClO4S/c1-15-11(16-2)7-18-8-4-5-9(10(13)6-8)12(14)17-3/h4-6,11H,7H2,1-3H3