(2-phenyl-1,3-thiazol-4-yl)methyl 2-benzamido-3-methyl-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-benzamido-3-methyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15(2)19(24-20(25)16-9-5-3-6-10-16)22(26)27-13-18-14-28-21(23-18)17-11-7-4-8-12-17/h3-12,14-15,19H,13H2,1-2H3,(H,24,25)