(2S)-2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]butanoic acid

Systemtic Name: (2S)-2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]butanoic acid Openeye Name: (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]butanoic acid CAS Name: (2S)-2-[3-(2-amino-4-thiazolyl)phenoxy]butanoic acid IUPAC Name: (2S)-2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]butanoic acid Traditional Name: (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC(=C1)C2=CSC(=N2)N

Isomeric SMILES

CC[C@@H](C(=O)O)OC1=CC=CC(=C1)C2=CSC(=N2)N

InChI

InChI=1S/C13H14N2O3S/c1-2-11(12(16)17)18-9-5-3-4-8(6-9)10-7-19-13(14)15-10/h3-7,11H,2H2,1H3,(H2,14,15)(H,16,17)/t11-/m0/s1