methyl 2-chloranyl-4-(phenylmethylsulfanyl)benzoate

Systemtic Name: methyl 2-chloranyl-4-(phenylmethylsulfanyl)benzoate Openeye Name: methyl 4-benzylsulfanyl-2-chloro-benzoate CAS Name: 2-chloro-4-(phenylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-chlorobenzoate Traditional Name: 4-(benzylthio)-2-chloro-benzoic acid methyl ester Formula: C15H13ClO2S MolecularWeight: 292.78052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)SCC2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)SCC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H13ClO2S/c1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3