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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=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)SCC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

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