[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C22H23NO4S/c1-16-7-9-17(10-8-16)14-28-15-22(26)27-13-20(24)18-4-2-5-19(12-18)23-11-3-6-21(23)25/h2,4-5,7-10,12H,3,6,11,13-15H2,1H3