4-[3-[4-(2,6-dimethoxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-[3-[4-(2,6-dimethoxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-[3-[4-(2,6-dimethoxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-[[3-[4-(2,6-dimethoxyphenyl)phenyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[3-[4-(2,6-dimethoxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-[3-[4-(2,6-dimethoxyphenyl)phenyl]propanoylamino]-3-thenoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O

InChI

InChI=1S/C22H21NO5S/c1-27-18-4-3-5-19(28-2)21(18)15-9-6-14(7-10-15)8-11-20(24)23-17-13-29-12-16(17)22(25)26/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,24)(H,25,26)