(2,5-dimethoxyphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2,5-dimethoxybenzyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H25NO5S/c1-26-17-9-10-19(27-2)16(13-17)14-28-22(25)18-7-3-4-8-20(18)29-15-21(24)23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3