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

Systemtic Name: (phenylmethyl) (2S)-2-[4-(2-azanyl-5-methyl-1,3-thiazol-4-yl)phenoxy]butanoate Openeye Name: benzyl (2S)-2-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]butanoate CAS Name: (2S)-2-[4-(2-amino-5-methyl-4-thiazolyl)phenoxy]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]butyric acid benzyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)OC2=CC=C(C=C2)C3=C(SC(=N3)N)C

Isomeric SMILES

CC[C@@H](C(=O)OCC1=CC=CC=C1)OC2=CC=C(C=C2)C3=C(SC(=N3)N)C

InChI

InChI=1S/C21H22N2O3S/c1-3-18(20(24)25-13-15-7-5-4-6-8-15)26-17-11-9-16(10-12-17)19-14(2)27-21(22)23-19/h4-12,18H,3,13H2,1-2H3,(H2,22,23)/t18-/m0/s1