ethyl 4-methyl-2-[[4-(methylsulfonylmethyl)phenyl]carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(methylsulfonylmethyl)phenyl]carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(methylsulfonylmethyl)benzoyl]-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(methylsulfonylmethyl)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[4-(mesylmethyl)benzoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-7-8-13-23(21-22-15(3)18(29-21)20(25)28-6-2)19(24)17-11-9-16(10-12-17)14-30(4,26)27/h9-12H,5-8,13-14H2,1-4H3