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

Systemtic Name: diethyl-[3-[(2S)-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-2-(2-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(2-pyridinyl)-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-5-(2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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=N3

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3S/c1-3-23(4-2)12-8-13-24-18(15-9-5-6-11-22-15)17(20(26)21(24)27)19(25)16-10-7-14-28-16/h5-7,9-11,14,18,26H,3-4,8,12-13H2,1-2H3/p+1/t18-/m1/s1