ethyl 2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[3-(methylsulfonylmethyl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(methylsulfonylmethyl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-(mesylmethyl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S2/c1-3-28-20(25)18-17(15-9-5-4-6-10-15)22-21(29-18)23-19(24)16-11-7-8-14(12-16)13-30(2,26)27/h4-12H,3,13H2,1-2H3,(H,22,23,24)