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

Systemtic Name: diethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-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-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-p-cumenyl-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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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(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-5-25(6-2)13-14-26-21(18-11-9-17(10-12-18)16(3)4)20(23(28)24(26)29)22(27)19-8-7-15-30-19/h7-12,15-16,21,28H,5-6,13-14H2,1-4H3/p+1/t21-/m0/s1