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

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (2-acetyl-5-methoxy-phenyl) 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-15(24)17-10-9-16(27-2)13-19(17)28-22(26)18-7-3-4-8-20(18)29-14-21(25)23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3