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

Systemtic Name: (2S)-2-[4-(2-azanyl-1,3-thiazol-4-yl)phenoxy]butanoate Openeye Name: (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butanoate CAS Name: (2S)-2-[4-(2-amino-4-thiazolyl)phenoxy]butanoate IUPAC Name: (2S)-2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butyrate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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