ethyl 4-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-chloro-5-methylsulfanyl-benzoyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chloro-5-methylsulfanylbenzoyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-chloro-5-(methylthio)benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H21ClN2O5S/c1-3-24-17(23)20-8-6-19(7-9-20)15(21)11-25-16(22)13-10-12(26-2)4-5-14(13)18/h4-5,10H,3,6-9,11H2,1-2H3