4-[[4-(4-tert-butylphenyl)thiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(4-tert-butylphenyl)thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(4-tert-butylphenyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]benzoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-22(2,3)17-8-4-14(5-9-17)16-12-19(27-13-16)20(24)23-18-10-6-15(7-11-18)21(25)26/h4-13H,1-3H3,(H,23,24)(H,25,26)