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

Systemtic Name: diethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-(4-pyridyl)-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-pyridin-4-yl-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-(4-pyridyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-22(4-2)11-12-23-17(14-7-9-21-10-8-14)16(19(25)20(23)26)18(24)15-6-5-13-27-15/h5-10,13,17,25H,3-4,11-12H2,1-2H3/p+1/t17-/m0/s1