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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-13(2)18(23-19(24)15-7-4-6-14(3)10-15)21(25)27-12-16-11-26-20(22-16)17-8-5-9-28-17/h4-11,13,18H,12H2,1-3H3,(H,23,24)