ethyl 4-chloranyl-4-(4-cyclohexyl-3-methylsulfanyl-phenyl)butanoate

Systemtic Name: ethyl 4-chloranyl-4-(4-cyclohexyl-3-methylsulfanyl-phenyl)butanoate Openeye Name: ethyl 4-chloro-4-(4-cyclohexyl-3-methylsulfanyl-phenyl)butanoate CAS Name: 4-chloro-4-[4-cyclohexyl-3-(methylthio)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-chloro-4-(4-cyclohexyl-3-methylsulfanylphenyl)butanoate Traditional Name: 4-chloro-4-[4-cyclohexyl-3-(methylthio)phenyl]butyric acid ethyl ester Formula: C19H27ClO2S MolecularWeight: 354.93448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC(=C(C=C1)C2CCCCC2)SC)Cl

Isomeric SMILES

CCOC(=O)CCC(C1=CC(=C(C=C1)C2CCCCC2)SC)Cl

InChI

InChI=1S/C19H27ClO2S/c1-3-22-19(21)12-11-17(20)15-9-10-16(18(13-15)23-2)14-7-5-4-6-8-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3