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

Systemtic Name: (2S)-5-oxidanylidene-2-phenyl-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-5-oxo-2-phenyl-1-(3-pyridylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-5-phenyl-1-(3-pyridylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O3S/c24-19(16-9-5-11-27-16)17-18(15-7-2-1-3-8-15)23(21(26)20(17)25)13-14-6-4-10-22-12-14/h1-12,18,25H,13H2/p-1/t18-/m0/s1