(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4S/c22-15-7-9-16(10-8-15)23-19(25)14-29-18-6-2-1-5-17(18)21(27)28-13-20(26)24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,23,25)