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

Systemtic Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonyl-2-hydroxybenzoic acid Traditional Name: 5-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-hydroxy-benzoic acid Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO8S/c1-4-22-12(3)19(21(26)29-5-2)15-10-13(6-8-17(15)22)30-31(27,28)14-7-9-18(23)16(11-14)20(24)25/h6-11,23H,4-5H2,1-3H3,(H,24,25)