3-methylbutyl (2S)-2-[4-(2-azanyl-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate

Systemtic Name: 3-methylbutyl (2S)-2-[4-(2-azanyl-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate Openeye Name: isopentyl (2S)-2-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]propanoate CAS Name: (2S)-2-[4-(2-amino-5-methyl-4-thiazolyl)phenoxy]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]propionic acid isoamyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N)C2=CC=C(C=C2)OC(C)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(N=C(S1)N)C2=CC=C(C=C2)O[C@@H](C)C(=O)OCCC(C)C

InChI

InChI=1S/C18H24N2O3S/c1-11(2)9-10-22-17(21)12(3)23-15-7-5-14(6-8-15)16-13(4)24-18(19)20-16/h5-8,11-12H,9-10H2,1-4H3,(H2,19,20)/t12-/m0/s1