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

Systemtic Name: diethyl-[2-[(2S)-2-(5-methylfuran-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-2-(5-methyl-2-furyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-2-(5-methyl-2-furanyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-(5-methyl-2-furyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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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(O3)C

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(O3)C

InChI

InChI=1S/C20H24N2O4S/c1-4-21(5-2)10-11-22-17(14-9-8-13(3)26-14)16(19(24)20(22)25)18(23)15-7-6-12-27-15/h6-9,12,17,24H,4-5,10-11H2,1-3H3/p+1/t17-/m1/s1