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

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-5-oxidanylidene-1-(pyridin-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-1-(3-pyridylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-tert-butylphenyl)-2-keto-1-(3-pyridylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H23N2O3S- MolecularWeight: 431.52672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3S/c1-25(2,3)18-10-8-17(9-11-18)21-20(22(28)19-7-5-13-31-19)23(29)24(30)27(21)15-16-6-4-12-26-14-16/h4-14,21,29H,15H2,1-3H3/p-1/t21-/m0/s1