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

Systemtic Name: ethyl 2-(2-chloranyl-5-sulfanyl-phenyl)carbonylpentanoate Openeye Name: ethyl 2-(2-chloro-5-sulfanyl-benzoyl)pentanoate CAS Name: 2-[(2-chloro-5-mercaptophenyl)-oxomethyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-5-sulfanylbenzoyl)pentanoate Traditional Name: 2-(2-chloro-5-mercapto-benzoyl)valeric acid ethyl ester Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO3S/c1-3-5-10(14(17)18-4-2)13(16)11-8-9(19)6-7-12(11)15/h6-8,10,19H,3-5H2,1-2H3