[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24ClNO3S MolecularWeight: 369.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C18H24ClNO3S/c1-12(17(21)20-11-13-6-4-3-5-7-13)23-18(22)15-10-14(24-2)8-9-16(15)19/h8-10,12-13H,3-7,11H2,1-2H3,(H,20,21)