[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S2/c1-15-4-7-18(8-5-15)31(25,26)11-10-21(24)29-13-17-14-30-22(23-17)16-6-9-19(27-2)20(12-16)28-3/h4-9,12,14H,10-11,13H2,1-3H3