3-[(4-methylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[2-methylpropanoyl(p-tolylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-methyl-1-oxopropyl)-[(4-methylphenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isobutyryl-(4-methylbenzyl)amino]-5-phenyl-2-thenoic acid Formula: C23H23NO3S MolecularWeight: 393.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C23H23NO3S/c1-15(2)22(25)24(14-17-11-9-16(3)10-12-17)19-13-20(28-21(19)23(26)27)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3,(H,26,27)