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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C18H23FN2O4S MolecularWeight: 382.449623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN2O4S/c1-12(17(23)21-9-3-4-10-21)25-18(24)13(2)26-11-16(22)20-15-7-5-14(19)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,22)