[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-methylsulfinylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-methylsulfinylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S2/c1-26(23)17-10-8-15(9-11-17)19(22)24-14-18(21)20-12-5-13-25-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,21)