[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO5S2/c1-13-3-8-17(29(2,24)25)9-18(13)20(23)27-10-15-12-28-19(22-15)11-26-16-6-4-14(21)5-7-16/h3-9,12H,10-11H2,1-2H3