5-[[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-[(4-tert-butylbenzoyl)amino]thiazol-5-yl]sulfanylmethyl]-2-methyl-benzoic acid CAS Name: 5-[[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-thiazolyl]thio]methyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methylbenzoic acid Traditional Name: 5-[[[2-[(4-tert-butylbenzoyl)amino]thiazol-5-yl]thio]methyl]-2-methyl-benzoic acid Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H24N2O3S2/c1-14-5-6-15(11-18(14)21(27)28)13-29-19-12-24-22(30-19)25-20(26)16-7-9-17(10-8-16)23(2,3)4/h5-12H,13H2,1-4H3,(H,27,28)(H,24,25,26)