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

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-11(16(20)19-12-6-4-3-5-7-12)22-17(21)14-10-13(23-2)8-9-15(14)18/h8-12H,3-7H2,1-2H3,(H,19,20)