(2-methoxy-5-methyl-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H25NO4S/c1-16-9-10-19(26-2)17(13-16)14-27-22(25)18-7-3-4-8-20(18)28-15-21(24)23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3