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

Systemtic Name: diethyl-[3-[(2S)-2-(2-fluorophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(2S)-2-(2-fluorophenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C22H26FN2O3S+ MolecularWeight: 417.516843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O3S/c1-3-24(4-2)12-8-13-25-19(15-9-5-6-10-16(15)23)18(21(27)22(25)28)20(26)17-11-7-14-29-17/h5-7,9-11,14,19,27H,3-4,8,12-13H2,1-2H3/p+1/t19-/m1/s1