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

Systemtic Name: 4-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-(4-ethylphenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-methyl-benzoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C21H20N2O3S/c1-4-14-5-7-15(8-6-14)20-22-13(3)18(27-20)19(24)23-17-10-9-16(21(25)26)11-12(17)2/h5-11H,4H2,1-3H3,(H,23,24)(H,25,26)