3-[3-[4-(2-ethoxyphenyl)phenyl]propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-[4-(2-ethoxyphenyl)phenyl]propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[3-[4-(2-ethoxyphenyl)phenyl]propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-[[3-[4-(2-ethoxyphenyl)phenyl]-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-[4-(2-ethoxyphenyl)phenyl]propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-[3-(4-o-phenetylphenyl)propanoylamino]-2-thenoic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=CC=C(C=C2)CCC(=O)NC3=C(SC=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC=C(C=C2)CCC(=O)NC3=C(SC=C3)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-2-27-19-6-4-3-5-17(19)16-10-7-15(8-11-16)9-12-20(24)23-18-13-14-28-21(18)22(25)26/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,23,24)(H,25,26)