[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S2/c1-27(24)15-16-7-5-8-17(13-16)20(23)25-14-19(22)21-11-6-12-26-18-9-3-2-4-10-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,21,22)