5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylthiophene-3-carboxylic acid Openeye Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylthiophene-3-carboxylic acid CAS Name: 5-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonylthiophene-3-carboxylic acid Traditional Name: 5-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-3-thenoic acid Formula: C19H19NO7S2 MolecularWeight: 437.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=CS3)C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C19H19NO7S2/c1-4-20-11(3)17(19(23)26-5-2)14-9-13(6-7-15(14)20)27-29(24,25)16-8-12(10-28-16)18(21)22/h6-10H,4-5H2,1-3H3,(H,21,22)