(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C22H24N2O4S/c1-13(2)19(24-20(25)16-9-6-5-8-14(16)3)22(26)27-12-17-15(4)28-21(23-17)18-10-7-11-29-18/h5-11,13,19H,12H2,1-4H3,(H,24,25)/t19-/m0/s1