[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H20ClNO6S2 MolecularWeight: 481.9696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C21H20ClNO6S2/c1-4-28-18-8-5-13(9-19(18)27-2)20-23-14(12-30-20)11-29-21(24)16-10-15(31(3,25)26)6-7-17(16)22/h5-10,12H,4,11H2,1-3H3