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

Systemtic Name: 2-(3-chloranyl-4-cycloheptyl-phenyl)-2-(diethylcarbamoylsulfanyl)ethanoic acid Openeye Name: 2-(3-chloro-4-cycloheptyl-phenyl)-2-(diethylcarbamoylsulfanyl)acetic acid CAS Name: 2-(3-chloro-4-cycloheptylphenyl)-2-[[diethylamino(oxo)methyl]thio]acetic acid IUPAC Name: 2-(3-chloro-4-cycloheptylphenyl)-2-(diethylcarbamoylsulfanyl)acetic acid Traditional Name: 2-(3-chloro-4-cycloheptyl-phenyl)-2-(diethylcarbamoylthio)acetic acid Formula: C20H28ClNO3S MolecularWeight: 397.95922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC(C1=CC(=C(C=C1)C2CCCCCC2)Cl)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)SC(C1=CC(=C(C=C1)C2CCCCCC2)Cl)C(=O)O

InChI

InChI=1S/C20H28ClNO3S/c1-3-22(4-2)20(25)26-18(19(23)24)15-11-12-16(17(21)13-15)14-9-7-5-6-8-10-14/h11-14,18H,3-10H2,1-2H3,(H,23,24)