(3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4S/c1-26-18-9-8-15(12-17(18)22)13-27-21(25)16-6-2-3-7-19(16)28-14-20(24)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3