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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-cyclobutylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(cyclobutanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[cyclobutyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(cyclobutanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(cyclobutanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C27H29NO3S MolecularWeight: 447.58906

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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)C4CCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CCC4

InChI

InChI=1S/C27H29NO3S/c1-27(2,3)21-14-12-18(13-15-21)17-28(25(29)20-10-7-11-20)22-16-23(32-24(22)26(30)31)19-8-5-4-6-9-19/h4-6,8-9,12-16,20H,7,10-11,17H2,1-3H3,(H,30,31)