3-(5-methyl-1,3-thiazol-2-yl)-4-(4-phenylmethoxyphenyl)butanoate

Systemtic Name: 3-(5-methyl-1,3-thiazol-2-yl)-4-(4-phenylmethoxyphenyl)butanoate Openeye Name: 4-(4-benzyloxyphenyl)-3-(5-methylthiazol-2-yl)butanoate CAS Name: 3-(5-methyl-2-thiazolyl)-4-(4-phenylmethoxyphenyl)butanoate IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-4-(4-phenylmethoxyphenyl)butanoate Traditional Name: 4-(4-benzoxyphenyl)-3-(5-methylthiazol-2-yl)butyrate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC1=CN=C(S1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C21H21NO3S/c1-15-13-22-21(26-15)18(12-20(23)24)11-16-7-9-19(10-8-16)25-14-17-5-3-2-4-6-17/h2-10,13,18H,11-12,14H2,1H3,(H,23,24)/p-1