(2S)-5-oxidanylidene-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-5-oxidanylidene-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-5-oxo-2-(3-pyridyl)-1-(3-pyridylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-pyridinyl)-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-5-oxo-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-5-(3-pyridyl)-1-(3-pyridylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H14N3O3S- MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CN=C1)CN2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C20H15N3O3S/c24-18(15-6-3-9-27-15)16-17(14-5-2-8-22-11-14)23(20(26)19(16)25)12-13-4-1-7-21-10-13/h1-11,17,25H,12H2/p-1/t17-/m0/s1