5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid Openeye Name: 2-ethyl-5-[(5-indolin-1-ylsulfonyl-2-oxo-indolin-1-ium-1-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid Traditional Name: 2-ethyl-5-[(5-indolin-1-ylsulfonyl-2-keto-indolin-1-ium-1-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylic acid Formula: C25H24N3O5S+ MolecularWeight: 478.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(N1)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C)C(=O)O

InChI

InChI=1S/C25H23N3O5S/c1-3-19-24(25(30)31)15(2)20(26-19)14-27-21-9-8-18(12-17(21)13-23(27)29)34(32,33)28-11-10-16-6-4-5-7-22(16)28/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,30,31)/p+1