6-(5-ethylsulfonyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid

Systemtic Name: 6-(5-ethylsulfonyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Openeye Name: 6-(5-ethylsulfonyl-2-oxo-indolin-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid CAS Name: 6-(5-ethylsulfonyl-2-oxo-3H-indol-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid IUPAC Name: 6-(5-ethylsulfonyl-2-oxo-3H-indol-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Traditional Name: 6-(5-esyl-2-keto-indolin-1-ium-1-ylidene)-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Formula: C19H19N2O5S+ MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)[N+](=C3CCC4=C3NC(=C4C(=O)O)C)C(=O)C2

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)[N+](=C3CCC4=C3NC(=C4C(=O)O)C)C(=O)C2

InChI

InChI=1S/C19H18N2O5S/c1-3-27(25,26)12-4-6-14-11(8-12)9-16(22)21(14)15-7-5-13-17(19(23)24)10(2)20-18(13)15/h4,6,8H,3,5,7,9H2,1-2H3,(H,23,24)/p+1