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

Systemtic Name: 2-[(2S)-2-(3-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(3-ethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-m-phenetyl-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C23H29N2O4S+ MolecularWeight: 429.55236

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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(=CC=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-24(5-2)12-13-25-20(16-9-7-10-17(15-16)29-6-3)19(22(27)23(25)28)21(26)18-11-8-14-30-18/h7-11,14-15,20,27H,4-6,12-13H2,1-3H3/p+1/t20-/m0/s1