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

Systemtic Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-pyridin-3-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(diethylammonio)ethyl]-5-oxo-2-(3-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(diethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(diethylammonio)ethyl]-2-keto-5-(3-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H23N3O3S MolecularWeight: 385.47992

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-22(4-2)10-11-23-17(14-7-5-9-21-13-14)16(19(25)20(23)26)18(24)15-8-6-12-27-15/h5-9,12-13,17,25H,3-4,10-11H2,1-2H3/t17-/m1/s1