(2R)-2-(4-tert-butylphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(4-tert-butylphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(4-tert-butylphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H32N2O3S/c1-6-26(7-2)14-15-27-21(17-10-12-18(13-11-17)25(3,4)5)20(23(29)24(27)30)22(28)19-9-8-16-31-19/h8-13,16,21,29H,6-7,14-15H2,1-5H3/t21-/m1/s1