2-[4-[[2-(butanoylamino)-1,3-thiazol-4-yl]carbonylamino]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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