(2S)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-keto-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H11FN3O5S2- MolecularWeight: 480.468243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@H]2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C22H12FN3O5S2/c23-12-6-7-14-16(10-12)33-22(24-14)25-18(11-3-1-4-13(9-11)26(30)31)17(20(28)21(25)29)19(27)15-5-2-8-32-15/h1-10,18,28H/p-1/t18-/m0/s1