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

Systemtic Name: (2S)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Openeye Name: (2S)-1-(5-methylisoxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(5-methyl-3-isoxazolyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-1-(5-methylisoxazol-3-yl)-4-(2-thenoyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-3-olate Formula: C22H19N2O7S- MolecularWeight: 455.46046

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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)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)OC

InChI

InChI=1S/C22H20N2O7S/c1-11-8-16(23-31-11)24-18(12-9-13(28-2)21(30-4)14(10-12)29-3)17(20(26)22(24)27)19(25)15-6-5-7-32-15/h5-10,18,26H,1-4H3/p-1/t18-/m0/s1