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

Systemtic Name: ethyl (2S)-2-[4-(2-azanyl-1,3-thiazol-4-yl)phenoxy]butanoate Openeye Name: ethyl (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butanoate CAS Name: (2S)-2-[4-(2-amino-4-thiazolyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butyric acid ethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-3-13(14(18)19-4-2)20-11-7-5-10(6-8-11)12-9-21-15(16)17-12/h5-9,13H,3-4H2,1-2H3,(H2,16,17)/t13-/m0/s1