5-(4-methoxyphenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(4-methoxyphenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-methoxyphenyl)-3-[[oxo-(2-phenylpropylamino)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 5-(4-methoxyphenyl)-3-(2-phenylpropylcarbamoylamino)-2-thenoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-14(15-6-4-3-5-7-15)13-23-22(27)24-18-12-19(29-20(18)21(25)26)16-8-10-17(28-2)11-9-16/h3-12,14H,13H2,1-2H3,(H,25,26)(H2,23,24,27)