(2R)-2-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(1,3-benzodioxol-5-yl)-2-keto-1-(6-methyl-2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H15N2O5S- MolecularWeight: 419.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)N2[C@@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16N2O5S/c1-12-4-2-6-17(23-12)24-19(13-7-8-14-15(10-13)29-11-28-14)18(21(26)22(24)27)20(25)16-5-3-9-30-16/h2-10,19,26H,11H2,1H3/p-1/t19-/m1/s1