(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-12(2)20(24)22-15-10-17(27-4)16(26-3)9-14(15)21(25)28-11-13-8-18(29-23-13)19-6-5-7-30-19/h5-10,12H,11H2,1-4H3,(H,22,24)