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

Systemtic Name: 3-[(2-chlorophenyl)methyl-(4-methylphenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-chlorophenyl)methyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-chlorophenyl)methyl-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chlorophenyl)methyl-(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-chlorobenzyl)-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C26H20ClNO3S MolecularWeight: 461.9599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H20ClNO3S/c1-17-11-13-19(14-12-17)25(29)28(16-20-9-5-6-10-21(20)27)22-15-23(32-24(22)26(30)31)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,30,31)