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

Systemtic Name: 4-methyl-3-[[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(2-methylpropanoylamino)thiazole-4-carbonyl]amino]benzoic acid CAS Name: 4-methyl-3-[[[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(isobutyrylamino)thiazole-4-carbonyl]amino]-4-methyl-benzoic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSC(=N2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSC(=N2)NC(=O)C(C)C

InChI

InChI=1S/C16H17N3O4S/c1-8(2)13(20)19-16-18-12(7-24-16)14(21)17-11-6-10(15(22)23)5-4-9(11)3/h4-8H,1-3H3,(H,17,21)(H,22,23)(H,18,19,20)