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

Systemtic Name: 4-methyl-3-[[2-(propanoylamino)-1,3-thiazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(propanoylamino)thiazole-4-carbonyl]amino]benzoic acid CAS Name: 4-methyl-3-[[oxo-[2-(1-oxopropylamino)-4-thiazolyl]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-methyl-3-[(2-propionamidothiazole-4-carbonyl)amino]benzoic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=CS1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCC(=O)NC1=NC(=CS1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H15N3O4S/c1-3-12(19)18-15-17-11(7-23-15)13(20)16-10-6-9(14(21)22)5-4-8(10)2/h4-7H,3H2,1-2H3,(H,16,20)(H,21,22)(H,17,18,19)