[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S2/c1-16-7-9-18(10-8-16)28(24,25)14-11-20(23)26-15-19(22)21-12-13-27-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22)