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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H20ClNO3S2 MolecularWeight: 409.95

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H20ClNO3S2/c1-25-15-7-8-17(20)16(11-15)19(23)24-12-18(22)21-9-10-26-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)