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

Systemtic Name: (2R)-2-(3-bromophenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(3-bromophenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S/c1-3-23(4-2)10-11-24-18(14-7-5-8-15(22)13-14)17(20(26)21(24)27)19(25)16-9-6-12-28-16/h5-9,12-13,18,26H,3-4,10-11H2,1-2H3/t18-/m1/s1