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

Systemtic Name: diethyl-[3-[(2S)-2-(5-methylfuran-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-2-(5-methyl-2-furyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-2-(5-methyl-2-furanyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-5-(5-methyl-2-furyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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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=C(O3)C

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(O3)C

InChI

InChI=1S/C21H26N2O4S/c1-4-22(5-2)11-7-12-23-18(15-10-9-14(3)27-15)17(20(25)21(23)26)19(24)16-8-6-13-28-16/h6,8-10,13,18,25H,4-5,7,11-12H2,1-3H3/p+1/t18-/m1/s1