2-(3-chloranyl-4-cyclohexyl-phenyl)-2-(diethylcarbamoylsulfanyl)ethanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclohexyl-phenyl)-2-(diethylcarbamoylsulfanyl)ethanoic acid Openeye Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-(diethylcarbamoylsulfanyl)acetic acid CAS Name: 2-(3-chloro-4-cyclohexylphenyl)-2-[[diethylamino(oxo)methyl]thio]acetic acid IUPAC Name: 2-(3-chloro-4-cyclohexylphenyl)-2-(diethylcarbamoylsulfanyl)acetic acid Traditional Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-(diethylcarbamoylthio)acetic acid Formula: C19H26ClNO3S MolecularWeight: 383.93264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC(C1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)SC(C1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

InChI

InChI=1S/C19H26ClNO3S/c1-3-21(4-2)19(24)25-17(18(22)23)14-10-11-15(16(20)12-14)13-8-6-5-7-9-13/h10-13,17H,3-9H2,1-2H3,(H,22,23)