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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

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