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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C18H17NO5S2/c1-13-4-6-15(7-5-13)26(21,22)10-8-18(20)23-12-14-11-16(24-19-14)17-3-2-9-25-17/h2-7,9,11H,8,10,12H2,1H3