methyl 2-(4-fluorophenyl)-4-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate

Systemtic Name: methyl 2-(4-fluorophenyl)-4-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate Openeye Name: methyl 2-(4-fluorophenyl)-4-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate CAS Name: 2-(4-fluorophenyl)-4-[[1-methyl-4-(methylthio)-2-pyrrolidinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-(4-fluorophenyl)-4-[(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methylamino]benzoate Traditional Name: 2-(4-fluorophenyl)-4-[[1-methyl-4-(methylthio)pyrrolidin-2-yl]methylamino]benzoic acid methyl ester Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1CNC2=CC(=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F)SC

Isomeric SMILES

CN1CC(CC1CNC2=CC(=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H25FN2O2S/c1-24-13-18(27-3)11-17(24)12-23-16-8-9-19(21(25)26-2)20(10-16)14-4-6-15(22)7-5-14/h4-10,17-18,23H,11-13H2,1-3H3