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

Systemtic Name: 3-methylbutyl (2S)-2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]propanoate Openeye Name: isopentyl (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]propanoate CAS Name: (2S)-2-[3-(2-amino-4-thiazolyl)phenoxy]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]propanoate Traditional Name: (2S)-2-[3-(2-aminothiazol-4-yl)phenoxy]propionic acid isoamyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-11(2)7-8-21-16(20)12(3)22-14-6-4-5-13(9-14)15-10-23-17(18)19-15/h4-6,9-12H,7-8H2,1-3H3,(H2,18,19)/t12-/m0/s1