(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,5-dimethylbenzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,5-dimethylbenzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S/c1-11-6-12(2)8-13(7-11)17(19)21-10-14-9-20-16(18-14)15-4-3-5-22-15/h3-9H,10H2,1-2H3