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

Systemtic Name: (phenylmethyl) (2S)-2-[4-(2-azanyl-1,3-thiazol-4-yl)phenoxy]butanoate Openeye Name: benzyl (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butanoate CAS Name: (2S)-2-[4-(2-amino-4-thiazolyl)phenoxy]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(2-aminothiazol-4-yl)phenoxy]butyric acid benzyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-2-18(19(23)24-12-14-6-4-3-5-7-14)25-16-10-8-15(9-11-16)17-13-26-20(21)22-17/h3-11,13,18H,2,12H2,1H3,(H2,21,22)/t18-/m0/s1