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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-cyclopropylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(cyclopropanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CC4

InChI

InChI=1S/C26H27NO3S/c1-26(2,3)20-13-9-17(10-14-20)16-27(24(28)19-11-12-19)21-15-22(31-23(21)25(29)30)18-7-5-4-6-8-18/h4-10,13-15,19H,11-12,16H2,1-3H3,(H,29,30)