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

Systemtic Name: diethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-phenyl-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-3-22(4-2)12-13-23-18(15-9-6-5-7-10-15)17(20(25)21(23)26)19(24)16-11-8-14-27-16/h5-11,14,18,25H,3-4,12-13H2,1-2H3/p+1/t18-/m0/s1