phenacyl 3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate

Systemtic Name: phenacyl 3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate Openeye Name: phenacyl 3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate CAS Name: 3-[(3,4-dichlorophenyl)methylthio]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3,4-dichlorobenzyl)thio]propionic acid phenacyl ester Formula: C18H16Cl2O3S MolecularWeight: 383.28884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H16Cl2O3S/c19-15-7-6-13(10-16(15)20)12-24-9-8-18(22)23-11-17(21)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2