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

Systemtic Name: (2R)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(diethylammonio)propyl]-2-(4-isopropoxyphenyl)-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-propan-2-yloxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(diethylammonio)propyl]-5-(4-isopropoxyphenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H32N2O4S MolecularWeight: 456.59758

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-5-26(6-2)14-8-15-27-22(18-10-12-19(13-11-18)31-17(3)4)21(24(29)25(27)30)23(28)20-9-7-16-32-20/h7,9-13,16-17,22,29H,5-6,8,14-15H2,1-4H3/t22-/m1/s1