5-(2-ethoxycarbonylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(2-ethoxycarbonylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(2-ethoxycarbonylphenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(2-ethoxycarbonylphenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(2-ethoxycarbonylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(2-carbethoxyphenyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H19NO6S2/c1-3-28-21(25)15-10-6-5-9-14(15)17-12-16(19(29-17)20(23)24)22-30(26,27)18-11-7-4-8-13(18)2/h4-12,22H,3H2,1-2H3,(H,23,24)