(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

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