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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(2-methyl-1-oxopropyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(2-methylpropanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-isobutyryl-amino]-5-phenyl-2-thenoic acid Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3S/c1-17(2)24(28)27(16-18-11-13-20(14-12-18)26(3,4)5)21-15-22(31-23(21)25(29)30)19-9-7-6-8-10-19/h6-15,17H,16H2,1-5H3,(H,29,30)