3-[2-[2-(2-carboxythiophen-3-yl)oxyethyl-(4-methylphenyl)sulfonyl-amino]ethoxy]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[2-(2-carboxythiophen-3-yl)oxyethyl-(4-methylphenyl)sulfonyl-amino]ethoxy]thiophene-2-carboxylic acid Openeye Name: 3-[2-[2-[(2-carboxy-3-thienyl)oxy]ethyl-(p-tolylsulfonyl)amino]ethoxy]thiophene-2-carboxylic acid CAS Name: 3-[2-[2-[(2-carboxy-3-thiophenyl)oxy]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]-2-thiophenecarboxylic acid IUPAC Name: 3-[2-[2-(2-carboxythiophen-3-yl)oxyethyl-(4-methylphenyl)sulfonylamino]ethoxy]thiophene-2-carboxylic acid Traditional Name: 3-[2-[2-[(2-carboxy-3-thienyl)oxy]ethyl-tosyl-amino]ethoxy]-2-thenoic acid Formula: C21H21NO8S3 MolecularWeight: 511.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=C(SC=C2)C(=O)O)CCOC3=C(SC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=C(SC=C2)C(=O)O)CCOC3=C(SC=C3)C(=O)O

InChI

InChI=1S/C21H21NO8S3/c1-14-2-4-15(5-3-14)33(27,28)22(8-10-29-16-6-12-31-18(16)20(23)24)9-11-30-17-7-13-32-19(17)21(25)26/h2-7,12-13H,8-11H2,1H3,(H,23,24)(H,25,26)