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

Systemtic Name: (2R)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(4-allyloxyphenyl)-1-[3-(diethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(diethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-(4-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(4-allyloxyphenyl)-1-[3-(diethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C25H30N2O4S/c1-4-16-31-19-12-10-18(11-13-19)22-21(23(28)20-9-7-17-32-20)24(29)25(30)27(22)15-8-14-26(5-2)6-3/h4,7,9-13,17,22,29H,1,5-6,8,14-16H2,2-3H3/t22-/m1/s1