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

Systemtic Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3-allyloxyphenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-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-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3-allyloxyphenyl)-1-[2-(diethylammonio)ethyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H28N2O4S MolecularWeight: 440.55512

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-4-14-30-18-10-7-9-17(16-18)21-20(22(27)19-11-8-15-31-19)23(28)24(29)26(21)13-12-25(5-2)6-3/h4,7-11,15-16,21,28H,1,5-6,12-14H2,2-3H3/t21-/m1/s1