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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H18ClNO6S2 MolecularWeight: 467.94302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H18ClNO6S2/c1-26-17-6-4-5-14(18(17)27-2)19-22-12(11-29-19)10-28-20(23)15-9-13(30(3,24)25)7-8-16(15)21/h4-9,11H,10H2,1-3H3