5-oxidanylidene-2-(3-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 5-oxidanylidene-2-(3-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 5-oxo-2-(3-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-propoxyphenyl)-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 5-oxo-2-(3-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-5-(3-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H22N2O4S/c1-2-11-30-18-8-3-7-17(13-18)21-20(22(27)19-9-5-12-31-19)23(28)24(29)26(21)15-16-6-4-10-25-14-16/h3-10,12-14,21,28H,2,11,15H2,1H3