ethyl 2-(2-chloranyl-5-sulfanyl-phenyl)carbonylbutanoate

Systemtic Name: ethyl 2-(2-chloranyl-5-sulfanyl-phenyl)carbonylbutanoate Openeye Name: ethyl 2-(2-chloro-5-sulfanyl-benzoyl)butanoate CAS Name: 2-[(2-chloro-5-mercaptophenyl)-oxomethyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-5-sulfanylbenzoyl)butanoate Traditional Name: 2-(2-chloro-5-mercapto-benzoyl)butyric acid ethyl ester Formula: C13H15ClO3S MolecularWeight: 286.7744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(C=CC(=C1)S)Cl)C(=O)OCC

Isomeric SMILES

CCC(C(=O)C1=C(C=CC(=C1)S)Cl)C(=O)OCC

InChI

InChI=1S/C13H15ClO3S/c1-3-9(13(16)17-4-2)12(15)10-7-8(18)5-6-11(10)14/h5-7,9,18H,3-4H2,1-2H3