[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic 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-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C22H21NO5S/c1-15(24)14-29-20-9-3-2-8-18(20)22(27)28-13-19(25)16-6-4-7-17(12-16)23-11-5-10-21(23)26/h2-4,6-9,12H,5,10-11,13-14H2,1H3