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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-propanoyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-propanoyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(1-oxopropyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-propanoylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-propionyl-amino]-5-phenyl-2-thenoic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C25H27NO3S/c1-5-22(27)26(16-17-11-13-19(14-12-17)25(2,3)4)20-15-21(30-23(20)24(28)29)18-9-7-6-8-10-18/h6-15H,5,16H2,1-4H3,(H,28,29)