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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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