(2S)-1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)-2-(2-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-2-(2-fluorophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(5-carbethoxy-4-methyl-thiazol-2-yl)-5-(2-fluorophenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H16FN2O5S2- MolecularWeight: 471.501243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=CC=C4F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2[C@@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H17FN2O5S2/c1-3-30-21(29)19-11(2)24-22(32-19)25-16(12-7-4-5-8-13(12)23)15(18(27)20(25)28)17(26)14-9-6-10-31-14/h4-10,16,27H,3H2,1-2H3/p-1/t16-/m1/s1