[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S2/c1-2-28(24,25)18-12-7-6-11-17(18)20(23)26-15-19(22)21-13-8-14-27-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,22)