(2S)-2-(3,4-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(5-methylisoxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(5-methyl-3-isoxazolyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-2-keto-1-(5-methylisoxazol-3-yl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H17N2O6S- MolecularWeight: 425.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NO1)N2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H18N2O6S/c1-11-9-16(22-29-11)23-18(12-6-7-13(27-2)14(10-12)28-3)17(20(25)21(23)26)19(24)15-5-4-8-30-15/h4-10,18,25H,1-3H3/p-1/t18-/m0/s1