(2S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethoxy-4-oxidanyl-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethoxy-4-oxidanyl-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(4,5-dimethylthiazol-2-yl)-2-(3-ethoxy-4-hydroxy-phenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(4,5-dimethyl-2-thiazolyl)-2-(3-ethoxy-4-hydroxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethoxy-4-hydroxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(4,5-dimethylthiazol-2-yl)-5-(3-ethoxy-4-hydroxy-phenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H19N2O5S2- MolecularWeight: 455.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C)C)[O-])C(=O)C4=CC=CS4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(C(=O)N2C3=NC(=C(S3)C)C)[O-])C(=O)C4=CC=CS4)O

InChI

InChI=1S/C22H20N2O5S2/c1-4-29-15-10-13(7-8-14(15)25)18-17(19(26)16-6-5-9-30-16)20(27)21(28)24(18)22-23-11(2)12(3)31-22/h5-10,18,25,27H,4H2,1-3H3/p-1/t18-/m0/s1