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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-2-3-7-13(20)19-16-18-12(9-24-16)14(21)17-11-6-4-5-10(8-11)15(22)23/h4-6,8-9H,2-3,7H2,1H3,(H,17,21)(H,22,23)(H,18,19,20)