[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[4-(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=C(C=C2)N3CCCC3=O

Isomeric SMILES

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

InChI

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