[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S2/c1-4-27-18-9-8-14(11-19(18)26-2)20-22-16(13-29-20)12-28-21(23)15-6-5-7-17(10-15)30(3,24)25/h5-11,13H,4,12H2,1-3H3