3-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-4-methoxy-benzoic acid Openeye Name: 3-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-4-methoxy-benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonyl-4-methoxybenzoic acid Traditional Name: 3-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-4-methoxy-benzoic acid Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8S/c1-5-23-13(3)20(22(26)30-6-2)16-12-15(8-9-17(16)23)31-32(27,28)19-11-14(21(24)25)7-10-18(19)29-4/h7-12H,5-6H2,1-4H3,(H,24,25)