(3-methoxycarbonylphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (3-carbomethoxybenzyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H23NO5S/c1-27-21(25)17-8-6-7-16(13-17)14-28-22(26)18-9-2-3-10-19(18)29-15-20(24)23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3