4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-ethoxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-ethoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 2-(hydrocinnamoylamino)-4-p-phenetyl-3-thenoic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

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