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

Systemtic Name: 3-[[2-(butanoylamino)-1,3-thiazol-4-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(butanoylamino)thiazole-4-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[oxo-[2-(1-oxobutylamino)-4-thiazolyl]methyl]amino]benzoic acid IUPAC Name: 3-[[2-(butanoylamino)-1,3-thiazole-4-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 3-[(2-butyramidothiazole-4-carbonyl)amino]-4-methyl-benzoic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-3-4-13(20)19-16-18-12(8-24-16)14(21)17-11-7-10(15(22)23)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)