(2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S2/c1-15-7-9-18(10-8-15)27(23,24)12-11-19(22)25-13-17-14-26-20(21-17)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3