[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C17H22ClNO3S/c1-23-13-7-8-15(18)14(9-13)17(21)22-11-16(20)19-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,19,20)