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

Systemtic Name: 3-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C25H33N2O5S+ MolecularWeight: 473.60492

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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(C=C3)OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-5-26(6-2)13-9-14-27-22(17-11-12-18(32-7-3)19(16-17)31-4)21(24(29)25(27)30)23(28)20-10-8-15-33-20/h8,10-12,15-16,22,29H,5-7,9,13-14H2,1-4H3/p+1/t22-/m0/s1