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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-(2-cyclopentylethanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(2-cyclopentylacetyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(2-cyclopentyl-1-oxoethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(2-cyclopentylacetyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(2-cyclopentylacetyl)amino]-5-phenyl-2-thenoic acid Formula: C29H33NO3S MolecularWeight: 475.64222

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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)CC4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)CC4CCCC4

InChI

InChI=1S/C29H33NO3S/c1-29(2,3)23-15-13-21(14-16-23)19-30(26(31)17-20-9-7-8-10-20)24-18-25(34-27(24)28(32)33)22-11-5-4-6-12-22/h4-6,11-16,18,20H,7-10,17,19H2,1-3H3,(H,32,33)