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

Systemtic Name: (2S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(4,5-dimethylthiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(4,5-dimethyl-2-thiazolyl)-2-(3-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-hydroxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(4,5-dimethylthiazol-2-yl)-5-(3-hydroxyphenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H15N2O4S2- MolecularWeight: 411.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)O)C

Isomeric SMILES

CC1=C(SC(=N1)N2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)O)C

InChI

InChI=1S/C20H16N2O4S2/c1-10-11(2)28-20(21-10)22-16(12-5-3-6-13(23)9-12)15(18(25)19(22)26)17(24)14-7-4-8-27-14/h3-9,16,23,25H,1-2H3/p-1/t16-/m0/s1