5-(4-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-ethoxyphenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 3-(o-tolylsulfonylamino)-5-p-phenetyl-2-thenoic acid Formula: C20H19NO5S2 MolecularWeight: 417.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H19NO5S2/c1-3-26-15-10-8-14(9-11-15)17-12-16(19(27-17)20(22)23)21-28(24,25)18-7-5-4-6-13(18)2/h4-12,21H,3H2,1-2H3,(H,22,23)