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

Systemtic Name: (2S)-2-(2,3-dimethoxyphenyl)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(2,3-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(2,3-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(2,3-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(2,3-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H16FN2O5S2- MolecularWeight: 495.522643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C24H17FN2O5S2/c1-31-15-6-3-5-13(22(15)32-2)19-18(20(28)16-7-4-10-33-16)21(29)23(30)27(19)24-26-14-9-8-12(25)11-17(14)34-24/h3-11,19,29H,1-2H3/p-1/t19-/m0/s1