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

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(dimethylammonio)ethyl]-2-keto-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-20(2)8-9-21-16(12-5-3-6-13(11-12)22(26)27)15(18(24)19(21)25)17(23)14-7-4-10-28-14/h3-7,10-11,16,24H,8-9H2,1-2H3/t16-/m1/s1