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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C21H21N2O4S+ MolecularWeight: 397.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C21H20N2O4S/c1-22(2)9-10-23-18(16-8-5-11-28-16)17(20(25)21(23)26)19(24)15-12-13-6-3-4-7-14(13)27-15/h3-8,11-12,18,25H,9-10H2,1-2H3/p+1/t18-/m1/s1