[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopropanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopropanecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopropanecarboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC1(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO3S/c22-18-8-6-17(7-9-18)21(10-11-21)20(25)26-14-19(24)23-12-13-27-15-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,24)