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

Systemtic Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C23H29N2O5S+ MolecularWeight: 445.55176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-5-24(6-2)11-12-25-20(16-14-15(29-3)9-10-17(16)30-4)19(22(27)23(25)28)21(26)18-8-7-13-31-18/h7-10,13-14,20,27H,5-6,11-12H2,1-4H3/p+1/t20-/m0/s1