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

Systemtic Name: 4-[[[4-(4-tert-butylphenyl)thiophen-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-(4-tert-butylphenyl)-2-thiophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(4-tert-butylphenyl)thiophene-2-carbonyl]amino]methyl]benzoic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23NO3S/c1-23(2,3)19-10-8-16(9-11-19)18-12-20(28-14-18)21(25)24-13-15-4-6-17(7-5-15)22(26)27/h4-12,14H,13H2,1-3H3,(H,24,25)(H,26,27)