5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-fluoro-benzoic acid CAS Name: 5-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonyl-2-fluorobenzoic acid Traditional Name: 5-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-fluoro-benzoic acid Formula: C21H20FNO7S MolecularWeight: 449.449403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C21H20FNO7S/c1-4-23-12(3)19(21(26)29-5-2)16-10-13(6-9-18(16)23)30-31(27,28)14-7-8-17(22)15(11-14)20(24)25/h6-11H,4-5H2,1-3H3,(H,24,25)