methyl 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoate Openeye Name: methyl 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoate CAS Name: 3-[4-[(2-chloroethylthio)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-chloroethylsulfanylmethyl)phenyl]propanoate Traditional Name: 3-[4-[(2-chloroethylthio)methyl]phenyl]propionic acid methyl ester Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)CSCCCl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)CSCCCl

InChI

InChI=1S/C13H17ClO2S/c1-16-13(15)7-6-11-2-4-12(5-3-11)10-17-9-8-14/h2-5H,6-10H2,1H3