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

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3-allyloxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3-allyloxyphenyl)-1-[3-(dimethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-4-13-29-17-9-5-8-16(15-17)20-19(21(26)18-10-6-14-30-18)22(27)23(28)25(20)12-7-11-24(2)3/h4-6,8-10,14-15,20,27H,1,7,11-13H2,2-3H3/t20-/m1/s1