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

Systemtic Name: (2S)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)-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-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H11F2N2O3S2- MolecularWeight: 453.461146

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H12F2N2O3S2/c23-12-4-1-3-11(9-12)18-17(19(27)15-5-2-8-30-15)20(28)21(29)26(18)22-25-14-7-6-13(24)10-16(14)31-22/h1-10,18,28H/p-1/t18-/m0/s1