diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C21H24FN2O3S+ MolecularWeight: 403.490263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-3-23(4-2)11-12-24-18(14-7-9-15(22)10-8-14)17(20(26)21(24)27)19(25)16-6-5-13-28-16/h5-10,13,18,26H,3-4,11-12H2,1-2H3/p+1/t18-/m0/s1