[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N3CCCC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N3CCCC3=O)C

InChI

InChI=1S/C22H23NO4S/c1-15-8-9-19(16(2)11-15)28-14-17-5-3-6-18(12-17)22(26)27-13-21(25)23-10-4-7-20(23)24/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3