3-[(2-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-chlorophenyl)methyl-(3-methyl-1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-chlorobenzyl)-isovaleryl-amino]-5-phenyl-2-thenoic acid Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=CC=C1Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=CC=C1Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H22ClNO3S/c1-15(2)12-21(26)25(14-17-10-6-7-11-18(17)24)19-13-20(29-22(19)23(27)28)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,27,28)